AG003ITU

4149-06-8 | 3-Amino-1-Phenyl-2-Pyrazolin-5-One

AG003ITU

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CAS Number	4149-06-8
Catalog Number	AG003ITU(AGN-PC-0JLQY2)
Chemical Name	3-Amino-1-Phenyl-2-Pyrazolin-5-One
EC Number	223-974-0
IUPAC Name	5-amino-2-phenyl-4H-pyrazol-3-one
InChI	InChI=1S/C9H9N3O/c10-8-6-9(13)12(11-8)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11)
InChI Key	LPOVZHYARSAVIZ-UHFFFAOYSA-N
MDL Number	MFCD00003137
Molecular Formula	C9H9N3O
Molecular Weight	175.1873
NSC Number	3336
SMILES	NC1=NN(C(=O)C1)C1=CC=CC=C1
Synonyms	3-amino-1-phenyl-4,5-dihydro-1H-pyrazol-5-one, 3-APDPO cpd, 4149-06-8, 3-amino-1-phenyl-2-pyrazolin-5-one, 3-Amino-1-phenyl-1H-pyrazol-5(4H)-one, 5-amino-2-phenyl-4H-pyrazol-3-one, 3H-Pyrazol-3-one, 5-amino-2,4-dihydro-2-phenyl-, 3-amino-1-phenyl-4,5-dihydro-1h-pyrazol-5-one, MFCD00003137, MLS002637685, 5-Pyrazolone, 3-amino-1-phenyl-, 5-Amino-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, EINECS 223-974-0, 3H-Pyrazol-3-one, 2,4-dihydro-5-amino-2-phenyl-, BRN 0153681, AI3-61273, 2,4-Dihydro-5-amino-2-phenyl-3H-pyrazol-3-one, 5-AMINO-2,4-DIHYDRO-2-PHENYL-3H-PYRAZOL-3-ONE, NSC3336, ACMC-1AREY, AC1Q6EYA, AC1L2TU2, TimTec1_001023, CHEMBL1872892, CTK4I4916, LPOVZHYARSAVIZ-UHFFFAOYSA-, DTXSID50194382, LPOVZHYARSAVIZ-UHFFFAOYSA-N, HMS1536O11, HMS3078O03, AC1Q5320, KS-000016KG, NSC-3336, ZINC1559185, ANW-13872, BBL007908, SBB003791, STK387497, 1-Phenyl-3-amino-5(4H)-pyrazolone, 1-Phenyl-3-amino-2-pyrazolin-5-one, AKOS000119164, AC-7642, AN-8797, MCULE-9247040081, SDCCGMLS-0066224.P001, VZ21631, NCGC00174876-01, AJ-27024, AK-80302, CJ-24504, SMR001547208, ST009462, TS-02423, 1-Phenyl-3-amino-4,5-dihydropyrazol-5-on, DB-049769, LS-129010, TC-102617, ST24041724, T8336, V0896, 5-amino-2-phenyl-2,4-dihydro-pyrazol-3-one, 3-Amino-4,5-dihydro-1-phenyl-1H-pyrazol-5-one, SR-01000597229, 3H-Pyrazol-3-one,5-amino-2,4-dihydro-2-phenyl-, 5-Amino-2-phenyl-2,4-dihydro-3H-pyrazol-3-one #, S05-0133, SR-01000597229-1, BRD-K03635798-001-01-9, F0347-2152, Z256709746, InChI=1/C9H9N3O/c10-8-6-9(13)12(11-8)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11), N-benzyl-2-(3-cyclopentyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)-N-methylacetamide, 3-Amino-1-phenyl-5-pyrazolone, C9H9N3O, CID77794, AR-1F1700, A1034, 3-Amino-1-phenyl-4,5-dihydropyrazolin-5-one, 28710-97-6, 4323-05-1,

Complexity	243
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.075g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	175.191g/mol
Monoisotopic Mass	175.075g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number