| CAS Number | 132465-62-4 |
| Catalog Number | AG00JVLG(AGN-PC-0WOPOH) |
| Chemical Name | 1,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid |
| IUPAC Name | 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylic acid |
| InChI | InChI=1S/C16H14N2O2/c19-16(20)14-11-15(12-7-3-1-4-8-12)18(17-14)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,19,20) |
| InChI Key | NXFXMRQTSCVALM-UHFFFAOYSA-N |
| MDL Number | MFCD09863276 |
| Molecular Formula | C16H14N2O2 |
| Molecular Weight | 266.2946 |
| SMILES | OC(C1CC(C2=CC=CC=C2)N(C2=CC=CC=C2)N=1)=O |
| Synonyms | 1,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid,
132465-62-4,
AC1Q745S,
SCHEMBL5591235,
CTK7I6027,
MFCD09863276,
AKOS027428234,
MCULE-7402184076,
NE19644,
KS-00001O22,
EN300-29705,
Z235352185,
|
| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.3g/mol |
| Monoisotopic Mass | 266.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number