| CAS Number | 955972-07-3 |
| Catalog Number | AG019JMJ |
| Chemical Name | [3-(3,4-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol |
| IUPAC Name | [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methanol |
| InChI | InChI=1S/C18H18N2O/c1-13-8-9-15(10-14(13)2)18-16(12-21)11-20(19-18)17-6-4-3-5-7-17/h3-11,21H,12H2,1-2H3 |
| InChI Key | HZIUFCSZDOXXEO-UHFFFAOYSA-N |
| MDL Number | MFCD05987297 |
| Molecular Formula | C18H18N2O |
| Molecular Weight | 278.3483 |
| SMILES | OCC1=CN(C2=CC=CC=C2)N=C1C3=CC=C(C)C(C)=C3 |
| Synonyms | [3-(3,4-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol,
955972-07-3,
(3-(3,4-Dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl)methanol,
AC1LJNB5,
AC1Q2LSM,
[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methanol,
SCHEMBL11244106,
CTK8F2450,
ZINC619231,
AKOS001073259,
MCULE-4161200465,
NE13087,
EN300-09839,
J-502740,
CID976857,
ZINC00619231,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.355g/mol |
| Monoisotopic Mass | 278.142g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number