| CAS Number | 1006486-85-6 |
| Catalog Number | AG00JFA8(AGN-PC-0WBBF6) |
| Chemical Name | 5-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine |
| IUPAC Name | 5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine |
| InChI | InChI=1S/C6H8F3N3/c1-4-2-5(10)11-12(4)3-6(7,8)9/h2H,3H2,1H3,(H2,10,11) |
| InChI Key | KTWXVQOHLGSELI-UHFFFAOYSA-N |
| MDL Number | MFCD08696547 |
| Molecular Formula | C6H8F3N3 |
| Molecular Weight | 179.1430 |
| SMILES | CC1N(CC(F)(F)F)N=C(N)C=1 |
| Synonyms | 5-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine,
1006486-85-6,
5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-3-ylamine,
SCHEMBL18578274,
CTK7B7171,
MFCD08696547,
SBB024278,
STK351297,
ZINC12395180,
AKOS000313960,
MCULE-2261094508,
ST45134677,
Z2106597114,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.146g/mol |
| Monoisotopic Mass | 179.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number