| CAS Number | 380449-90-1 |
| Catalog Number | AG019ZXE |
| Chemical Name | {3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methanol |
| IUPAC Name | [3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methanol |
| InChI | InChI=1S/C20H22N2O2/c1-15(2)14-24-19-10-8-16(9-11-19)20-17(13-23)12-22(21-20)18-6-4-3-5-7-18/h3-12,15,23H,13-14H2,1-2H3 |
| InChI Key | KBUGMHOBUCBBIP-UHFFFAOYSA-N |
| MDL Number | MFCD02720235 |
| Molecular Formula | C20H22N2O2 |
| Molecular Weight | 322.4009 |
| SMILES | CC(COC1=CC=C(C2C(CO)=CN(C3=CC=CC=C3)N=2)C=C1)C |
| Synonyms | {3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methanol,
380449-90-1,
[3-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol,
AC1LFDR8,
Oprea1_849828,
MLS001196267,
CHEMBL1500210,
HMS2878K10,
ZINC202789,
AKOS001017856,
CCG-113880,
MCULE-9524106238,
NE62585,
SMR000556359,
EU-0080650,
AB00109378-01,
SR-01000469736,
SR-01000469736-1,
[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methanol,
CID752100,
ZINC00202789,
|
| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.408g/mol |
| Monoisotopic Mass | 322.168g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 47.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number