| CAS Number | 1187064-56-7 |
| Catalog Number | AG01AIPN |
| Chemical Name | 5-amino-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide |
| IUPAC Name | 5-amino-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide |
| InChI | InChI=1S/C12H14N4O/c1-8-2-4-9(5-3-8)6-14-12(17)10-7-15-16-11(10)13/h2-5,7H,6H2,1H3,(H,14,17)(H3,13,15,16) |
| InChI Key | WPGBWPAWGPFJTH-UHFFFAOYSA-N |
| MDL Number | MFCD11210152 |
| Molecular Formula | C12H14N4O |
| Molecular Weight | 230.2658 |
| SMILES | CC1=CC=C(CNC(C2=C(N)NN=C2)=O)C=C1 |
| Synonyms | 5-amino-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide,
1187064-56-7,
3-amino-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide,
ZINC36939759,
AKOS009339276,
MCULE-5116488983,
NE30428,
EN300-78672,
5-amino-N-(4-methylbenzyl)-1H-pyrazole-4-carboxamide,
Z1268152360,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.271g/mol |
| Monoisotopic Mass | 230.117g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number