| CAS Number | 1155123-85-5 |
| Catalog Number | AG019UFS(AGN-PC-0WO4QG) |
| Chemical Name | 1-(3-aminophenyl)-1H-pyrazole-3-carboxamide |
| IUPAC Name | 1-(3-aminophenyl)pyrazole-3-carboxamide |
| InChI | InChI=1S/C10H10N4O/c11-7-2-1-3-8(6-7)14-5-4-9(13-14)10(12)15/h1-6H,11H2,(H2,12,15) |
| InChI Key | RPCSNFBWCGGPPV-UHFFFAOYSA-N |
| MDL Number | MFCD11505648 |
| Molecular Formula | C10H10N4O |
| Molecular Weight | 202.2126 |
| SMILES | NC(C1=NN(C2=CC(N)=CC=C2)C=C1)=O |
| Synonyms | 1-(3-aminophenyl)-1H-pyrazole-3-carboxamide,
1155123-85-5,
EN300-41543,
AC1Q4ZGP,
SCHEMBL18704454,
CTK7D9049,
ZINC32628117,
AKOS009292418,
MCULE-2476397591,
NE61067,
Z415735018,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.217g/mol |
| Monoisotopic Mass | 202.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 86.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number