| CAS Number | 956753-11-0 |
| Catalog Number | AG019NN6 |
| Chemical Name | 3-(3,4-dimethylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C18H16N2O2/c1-12-8-9-14(10-13(12)2)17-16(18(21)22)11-20(19-17)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,21,22) |
| InChI Key | MHEIVZUPCFKWOT-UHFFFAOYSA-N |
| MDL Number | MFCD06362485 |
| Molecular Formula | C18H16N2O2 |
| Molecular Weight | 292.3318 |
| SMILES | CC1=C(C)C=C(C2C(C(O)=O)=CN(C3=CC=CC=C3)N=2)C=C1 |
| Synonyms | 3-(3,4-dimethylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid,
956753-11-0,
AC1Q2LSK,
AC1M8W3R,
CTK7J0457,
ZINC3426885,
AKOS022229742,
MCULE-6467922791,
NE36770,
EN300-11268,
Z57040523,
3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxylic acid,
CID2546276,
3-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylic Acid,
|
| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.338g/mol |
| Monoisotopic Mass | 292.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number