| CAS Number | 1174309-16-0 |
| Catalog Number | AG000EB1(AGN-PC-0WNOCG) |
| Chemical Name | 1H-Pyrazol-4-amine, 1-(difluoromethyl)- |
| IUPAC Name | 1-(difluoromethyl)pyrazol-4-amine |
| InChI | InChI=1S/C4H5F2N3/c5-4(6)9-2-3(7)1-8-9/h1-2,4H,7H2 |
| InChI Key | JYZVNUKJBUJJIK-UHFFFAOYSA-N |
| MDL Number | MFCD11858421 |
| Molecular Formula | C4H5F2N3 |
| Molecular Weight | 133.0994 |
| SMILES | NC1=CN(C(F)F)N=C1 |
| Synonyms | 1-(difluoromethyl)-1H-pyrazol-4-amine,
1174309-16-0,
1H-Pyrazol-4-amine, 1-(difluoromethyl)-,
AC1Q52GZ,
SCHEMBL3262269,
CTK7B7255,
JYZVNUKJBUJJIK-UHFFFAOYSA-N,
MFCD11558117,
ZINC26510661,
AKOS011239464,
MCULE-4793468843,
SB21956,
KS-0000089D,
BS-13126,
CS-0052829,
EN300-89109,
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| Complexity | 97.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 133.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 133.102g/mol |
| Monoisotopic Mass | 133.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number