1-isopropyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
Basic information
- CAS
1171326-79-6- Standard SMILES
CC(C)n1nc(C(F)(F)F)cc1N- InChIKey
RTGBQXBEERUFTJ-UHFFFAOYSA-N- Molecular formula
- C7H10F3N3
- Average molar mass
- 193.17 g/mol
Names & identifiers
- Preferred name
- 1-isopropyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
- IUPAC
- 1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine
- English name
- 1-isopropyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
- Molecular formula
- C7H10F3N3
- Molecular weight
- 193.17
Names & synonyms
1-isopropyl-3-(trifluoromethyl)-1H-pyrazol-5-amine1171326-79-62-isopropyl-5-(trifluoromethyl)pyrazol-3-amine1-(propan-2-yl)-3-(trifluoromethyl)-1H-pyrazol-5-amineMFCD106990281-(methylethyl)-3-(trifluoromethyl)pyrazole-5-ylamineSCHEMBL17045332RTGBQXBEERUFTJ-UHFFFAOYSA-NSBB026671AKOS005168652AT45862CS-0274467
Show more names
1H-Pyrazol-5-amine, 1-(1-methylethyl)-3-(trifluoromethyl)-
ST45135356EN300-2320832-propan-2-yl-5-(trifluoromethyl)pyrazol-3-amineF2198-5936
Database identifiers
- CAS
1171326-79-6
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Boiling point
- 242.6 · 242.6±40.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 1.25 · 1.25±0.10(Predicted)
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Compound notes
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