| CAS Number | 956984-60-4 |
| Catalog Number | AG00IJCT(AGN-PC-0WQYDM) |
| Chemical Name | 1-(4-methylphenyl)-3-phenyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C17H14N2O2/c1-12-7-9-14(10-8-12)19-11-15(17(20)21)16(18-19)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21) |
| InChI Key | LNXXVLMXQUWUNK-UHFFFAOYSA-N |
| MDL Number | MFCD06358036 |
| Molecular Formula | C17H14N2O2 |
| Molecular Weight | 278.3053 |
| SMILES | CC1=CC=C(N2N=C(C3=CC=CC=C3)C(C(O)=O)=C2)C=C1 |
| Synonyms | 1-(4-methylphenyl)-3-phenyl-1H-pyrazole-4-carboxylic acid,
956984-60-4,
AC1Q2LBF,
AC1M8HN5,
CTK6B8557,
ZINC3394904,
MFCD06358036,
AKOS008965476,
MCULE-1099276890,
NE13204,
EN300-10392,
3-phenyl-1-(p-tolyl)pyrazole-4-carboxylic acid,
Z56347326,
1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylic acid,
CID2513400,
1-(4-methylphenyl)-3-phenyl-pyrazole-4-carboxylic Acid,
|
| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.311g/mol |
| Monoisotopic Mass | 278.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number