| CAS Number | 89181-79-3 |
| Catalog Number | AG00H4BQ(AGN-PC-01BNUS) |
| Chemical Name | 1H-Pyrazole-4-carboxamide,3-amino-1-methyl-(9CI) |
| IUPAC Name | 3-amino-1-methylpyrazole-4-carboxamide |
| InChI | InChI=1S/C5H8N4O/c1-9-2-3(5(7)10)4(6)8-9/h2H,1H3,(H2,6,8)(H2,7,10) |
| InChI Key | AFVDRBOAZKXVQB-UHFFFAOYSA-N |
| MDL Number | MFCD08128459 |
| Molecular Formula | C5H8N4O |
| Molecular Weight | 140.1432 |
| SMILES | O=C(C1=CN(C)N=C1N)N |
| Synonyms | 3-amino-1-methyl-1H-pyrazole-4-carboxamide,
89181-79-3,
3-amino-1-methylpyrazole-4-carboxamide,
SCHEMBL174293,
AFVDRBOAZKXVQB-UHFFFAOYSA-N,
ZINC8783111,
MFCD08128459,
STL415459,
AKOS006364792,
MCULE-2910039073,
NE44281,
AK430966,
DS-18720,
ST070076,
FT-0716252,
1H-Pyrazole-4-carboxamide,3-amino-1-methyl-(9CI),
Z1516115797,
1H-Pyrazole-4-carboxamide, 3-amino-1-methyl- (9CI),
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.146g/mol |
| Monoisotopic Mass | 140.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 86.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number