| CAS Number | 925689-10-7 |
| Catalog Number | AG0063WR(AGN-PC-0806V2) |
| Chemical Name | 1H-Pyrazole-4-carboxamide, 3-(difluoromethyl)-1-methyl- |
| IUPAC Name | 3-(difluoromethyl)-1-methylpyrazole-4-carboxamide |
| InChI | InChI=1S/C6H7F2N3O/c1-11-2-3(6(9)12)4(10-11)5(7)8/h2,5H,1H3,(H2,9,12) |
| InChI Key | XNXCINUKGNQCEZ-UHFFFAOYSA-N |
| MDL Number | MFCD20696769 |
| Molecular Formula | C6H7F2N3O |
| Molecular Weight | 175.1361 |
| SMILES | CN1C=C(C(=N1)C(F)F)C(=O)N |
| UNII | 7R889Z7ANQ |
| Synonyms | 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide,
925689-10-7,
UNII-7R889Z7ANQ,
1H-Pyrazole-4-carboxamide, 3-(difluoromethyl)-1-methyl-,
7R889Z7ANQ,
3-Difluoromethyl-1-methylpyrazole-4-carboxamide,
SCHEMBL345169,
CTK3F8067,
DTXSID90677366,
XNXCINUKGNQCEZ-UHFFFAOYSA-N,
ZINC83255316,
AKOS030620234,
MCULE-2490531328,
NE51197,
Z1515654336,
3-difluoromethyl-1-methyl-1h-pyrazole-4-carboxylic acid amide,
ACN-040021,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.139g/mol |
| Monoisotopic Mass | 175.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number