| CAS Number | 1015846-00-0 |
| Catalog Number | AG0004W7(AGN-PC-0WB3QG) |
| Chemical Name | 1-(2-(Trifluoromethyl)benzyl)-1H-pyrazol-5-amine |
| IUPAC Name | 2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-amine |
| InChI | InChI=1S/C11H10F3N3/c12-11(13,14)9-4-2-1-3-8(9)7-17-10(15)5-6-16-17/h1-6H,7,15H2 |
| InChI Key | FRVGKUCNEILPOV-UHFFFAOYSA-N |
| MDL Number | MFCD08457376 |
| Molecular Formula | C11H10F3N3 |
| Molecular Weight | 241.2124 |
| SMILES | N1(CC2=CC=CC=C2C(F)(F)F)N=CC=C1N |
| Synonyms | 1015846-00-0,
1-[2-(TRIFLUOROMETHYL)BENZYL]-1H-PYRAZOL-5-AMINE,
1-(2-(Trifluoromethyl)benzyl)-1H-pyrazol-5-amine,
2-(2-trifluoromethyl-benzyl)-2h-pyrazol-3-ylamine,
SCHEMBL1491106,
CTK3J9955,
DTXSID30588568,
ZX-CM005193,
MFCD08457376,
ZINC19091173,
AKOS000147678,
SEL10025738,
AJ-71563,
Y-3915,
1-{[2-(Trifluoromethyl)phenyl]methyl}-1H-pyrazol-5-amine,
1-[2-(TRIFLUOROMETHYL)BENZYL]-1H-PYRAZOL-5-AMINE 95%,
1H-Pyrazol-5-amine, 1-[[2-(trifluoromethyl)phenyl]methyl]-,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.217g/mol |
| Monoisotopic Mass | 241.083g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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