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| CAS Number | 479-92-5 |
| Catalog Number | AG003U09(AGN-PC-0JK6NU) |
| Chemical Name | Propyphenazone |
| EC Number | 207-539-2 |
| IUPAC Name | 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one |
| InChI | InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3 |
| InChI Key | PXWLVJLKJGVOKE-UHFFFAOYSA-N |
| MDL Number | MFCD00053368 |
| Molecular Formula | C14H18N2O |
| Molecular Weight | 230.3055 |
| SMILES | O=C1N(C2=CC=CC=C2)N(C)C(C)=C1C(C)C |
| UNII | OED8FV75PY |
| Synonyms | 4-isopropyl-2,3-dimethyl-1-phenyl-3-pyrazoline-5-one,
4-isopropylantipyrine,
Commotional,
Demex,
Hewedolor propy,
Isoprochin P,
isopropylphenazone,
propylphenazone,
propyphenazone,
Propyphenazone,
isopropylantipyrine,
479-92-5,
Isopropylphenazone,
4-Isopropylantipyrine,
Isopropyrine,
Isopropylantipyrin,
Isopropylantipyrinum,
Larodon,
Propifenazona,
Propyphenazonum,
Isopropchin,
1-Phenyl-2,3-dimethyl-4-isopropyl-3-pyrazolin-5-one,
1-Phenyl-2,3-dimethyl-4-isopropylpyrazol-5-one,
Propifenazone [DCIT],
Propyphenazon,
Budirol,
Causyth,
Cibalgina,
UNII-OED8FV75PY,
Propifenazona [INN-Spanish],
Propyphenazonum [INN-Latin],
4-Isopropylphenazone,
CCRIS 6716,
Propyphenazone [INN:BAN:DCF],
ANTIPYRINE, 4-ISOPROPYL-,
4-Isopropyl-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one,
CHEBI:135538,
3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-(1-methylethyl)-2-phenyl-,
EINECS 207-539-2,
OED8FV75PY,
1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one,
BRN 0204533,
2,3-Dimethyl-4-isopropyl-1-phenyl-3H-pyrazolin-5-one,
3-Pyrazolin-5-one, 2,3-dimethyl-4-isopropyl-1-phenyl-,
3-Pyrazolin-5-one, 4-isopropyl-2,3-dimethyl-1-phenyl-,
4-Isopropyl-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one,
PXWLVJLKJGVOKE-UHFFFAOYSA-N,
5-Pyrazolone, 1-phenyl-2,3-dimethyl-4-isopropyl-,
NCGC00164612-01,
Propifenazone,
1,5-dimethyl-2-phenyl-4-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one,
DSSTox_CID_3529,
DSSTox_RID_77065,
4-Isopropyl-2,3-dimethyl-1-phenyl-5-pyrazolone,
DSSTox_GSID_23529,
W-106059,
4-Isopropyl-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one,
Propyfenazone,
4-Isopropyl-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one,
1,5-dimethyl-4-(1-methylethyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one,
CAS-479-92-5,
2,3-dimethyl-4-(methylethyl)-1-phenyl-3-pyrazolin-5-one,
Arantil P,
Yoshipyrin (TN),
Propyphenazone,(S),
Propyphenazone (INN),
PubChem23315,
AC1L1GOW,
AC1Q1OBA,
ChemDiv2_002457,
Epitope ID:124928,
Isopropylantipyrine (JP17),
SCHEMBL23393,
5-24-01-00408 (Beilstein Handbook Reference),
MLS004773970,
CHEMBL28318,
4-isopropyl-2,3-dimethyl-1-phenyl-3-pyrazoline-5-one,
DTXSID6023529,
PXWLVJLKJGVOKE-UHFFFAOYSA-,
ZINC49151,
HMS1375P15,
HY-A0273,
KS-000014RW,
Tox21_112233,
MFCD00053368,
SBB057120,
STK766727,
1,2-Dihydro-1,5-dimethyl-4-(1-methylethyl)-2-phenyl-3H-pyrazol-3-one,
AKOS001725335,
Propyphenazone (4-Isopropylantipyrine),
Tox21_112233_1,
API0007224,
CS-5533,
MCULE-8150765163,
NCGC00164612-02,
AC-12099,
AN-45175,
LS-21388,
Propyphenazone 1.0 mg/ml in Acetonitrile,
SMR001495368,
ST007547,
AB1009704,
FT-0654525,
I0656,
D01380,
4-isopropyl-1,5-dimethyl-2-phenyl-pyrazol-3-one,
SR-01000536454,
4-Isopropylantipyrine, analytical reference material,
I14-7749,
SR-01000536454-1,
4-ISOPROPYL-1,5-DIMETHYL-2-PHENYL-3-PYRAZOLONE,
A2705/0115064,
Propyphenazone, European Pharmacopoeia (EP) Reference Standard,
4-Isopropyl-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one #,
1,5-dimethyl-2-phenyl-4-(propan-2-yl)-2,3-dihydro-1H-pyrazol-3-one,
Propyphenazone, Pharmaceutical Secondary Standard; Certified Reference Material,
InChI=1/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3,
Propylphenazone,
Eufibron,
null,
Commotional,
Yoshipyrin,
Demex,
Hewedolor propy,
Isoprochin P,
Isopropyl Phenazone,
D06IXT,
C14H18N2O,
Propyphenazone [BAN:DCF:INN],
CID3778,
C14-H18-N2-O,
CS-O-01696,
C009077,
1,5-Dimethyl-2-phenyl-4-propyl-1H-pyrazol-3(2H)-one,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.311g/mol |
| Monoisotopic Mass | 230.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302 |
| Packing Group | |
| Precautionary statements | P301+P312+P330 |
| UN Code |
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| Chemical Structure: | CAS Registry No: | |
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