| CAS Number | 1042767-98-5 |
| Catalog Number | AG019OLG |
| Chemical Name | 5-amino-N-(2-methoxyphenyl)-3-methyl-1H-pyrazole-4-carboxamide |
| IUPAC Name | 3-amino-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide |
| InChI | InChI=1S/C12H14N4O2/c1-7-10(11(13)16-15-7)12(17)14-8-5-3-4-6-9(8)18-2/h3-6H,1-2H3,(H,14,17)(H3,13,15,16) |
| InChI Key | WGRLEFRRTDPIJF-UHFFFAOYSA-N |
| MDL Number | MFCD07339542 |
| Molecular Formula | C12H14N4O2 |
| Molecular Weight | 246.2652 |
| SMILES | COC1=C(NC(C2=C(N)NN=C2C)=O)C=CC=C1 |
| Synonyms | 5-amino-N-(2-methoxyphenyl)-3-methyl-1H-pyrazole-4-carboxamide,
1042767-98-5,
AC1OEVG2,
AC1Q45P4,
CTK7B1343,
HMS1741B19,
ZINC3888506,
MFCD07339542,
AKOS009020779,
MCULE-2219098361,
NE29881,
EN300-14403,
Z99601238,
3-amino-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide,
ZINC03888506,
CID7063823,
|
| Complexity | 300 |
| 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 | 3 |
| Topological Polar Surface Area | 93A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number