| CAS Number | 1088200-27-4 |
| Catalog Number | AG01ABHS |
| Chemical Name | methyl 1,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carboxylate |
| IUPAC Name | methyl 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate |
| InChI | InChI=1S/C17H16N2O2/c1-21-17(20)15-12-16(13-8-4-2-5-9-13)19(18-15)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3 |
| InChI Key | LUYJYTHMADPNCH-UHFFFAOYSA-N |
| MDL Number | MFCD10660990 |
| Molecular Formula | C17H16N2O2 |
| Molecular Weight | 280.3211 |
| SMILES | COC(C1CC(C2=CC=CC=C2)N(C2=CC=CC=C2)N=1)=O |
| Synonyms | methyl 1,5-diphenyl-4,5-dihydro-1H-pyrazole-3-carboxylate,
1088200-27-4,
AC1Q43SV,
AKOS034187139,
MCULE-3216333852,
NE37898,
EN300-71659,
Z325517808,
1,5-Diphenyl-2-pyrazoline-3-carboxylic acid methyl ester,
|
| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.327g/mol |
| Monoisotopic Mass | 280.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 41.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number