| CAS Number | 1187861-34-2 |
| Catalog Number | AG01AIPA |
| Chemical Name | 5-amino-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide |
| IUPAC Name | 5-amino-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide |
| InChI | InChI=1S/C12H14N4O2/c1-18-9-4-2-8(3-5-9)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 | VYJFIYVZEREQMP-UHFFFAOYSA-N |
| MDL Number | MFCD11210070 |
| Molecular Formula | C12H14N4O2 |
| Molecular Weight | 246.2652 |
| SMILES | COC1=CC=C(CNC(C2=C(N)NN=C2)=O)C=C1 |
| Synonyms | 1187861-34-2,
5-amino-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide,
5-amino-N-(4-methoxybenzyl)-1H-pyrazole-4-carboxamide,
3-amino-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide,
BBL006745,
MFCD11210070,
STL134630,
ZINC36939536,
AKOS005745012,
MCULE-2905502609,
NE23135,
EN300-78654,
Z1268152407,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.27g/mol |
| Monoisotopic Mass | 246.112g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number