| CAS Number | 89280-01-3 |
| Catalog Number | AG00H1UP(AGN-PC-001VLC) |
| Chemical Name | 1-Methyl-1H-pyrazole-4-carboxamide |
| IUPAC Name | 1-methylpyrazole-4-carboxamide |
| InChI | InChI=1S/C5H7N3O/c1-8-3-4(2-7-8)5(6)9/h2-3H,1H3,(H2,6,9) |
| InChI Key | JHAHAUYJIIKYIC-UHFFFAOYSA-N |
| MDL Number | MFCD11643542 |
| Molecular Formula | C5H7N3O |
| Molecular Weight | 125.1286 |
| SMILES | CN1N=CC(=C1)C(=O)N |
| Synonyms | 1-methyl-1H-pyrazole-4-carboxamide,
89280-01-3,
SCHEMBL872178,
DTXSID20561880,
JHAHAUYJIIKYIC-UHFFFAOYSA-N,
ZINC34324446,
AKOS002657149,
1H-Pyrazole-4-carboxamide, 1-methyl-,
MCULE-7868747513,
NE21848,
DS-13454,
Z101186202,
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| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.131g/mol |
| Monoisotopic Mass | 125.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number