| CAS Number | 1156075-93-2 |
| Catalog Number | AG019L46 |
| Chemical Name | 5-(Aminocarbonyl)-1-phenyl-4,5-dihydro-1h-pyrazole-3-carboxylic acid |
| IUPAC Name | 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylic acid |
| InChI | InChI=1S/C11H11N3O3/c12-10(15)9-6-8(11(16)17)13-14(9)7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,12,15)(H,16,17) |
| InChI Key | LUYBWURXJSOPOJ-UHFFFAOYSA-N |
| MDL Number | MFCD09863294 |
| Molecular Formula | C11H11N3O3 |
| Molecular Weight | 233.2233 |
| SMILES | NC(C1N(C2=CC=CC=C2)N=C(C(O)=O)C1)=O |
| Synonyms | 5-carbamoyl-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid,
5-(aminocarbonyl)-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid,
EN300-29765,
1156075-93-2,
AC1Q4ZH7,
CTK7D2587,
AKOS008103753,
MCULE-2961295997,
NE14545,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.227g/mol |
| Monoisotopic Mass | 233.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 96A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number