5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

C6H8F3N3 — CID 19622835

IUPAC5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCc1cc(N)nn1CC(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-4-2-5(10)11-12(4)3-6(7,8)9/h2H,3H2,1H3,(H2,10,11)
InChIKeyKTWXVQOHLGSELI-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.34
Rot. Bonds1

About 5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (PubChem CID 19622835) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
PubChem CID19622835
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCc1cc(N)nn1CC(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-4-2-5(10)11-12(4)3-6(7,8)9/h2H,3H2,1H3,(H2,10,11)
InChIKeyKTWXVQOHLGSELI-UHFFFAOYSA-N
XLogP1.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The IUPAC name of 5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (CID 19622835) is 5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.
What is the SMILES notation for 5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The canonical SMILES for 5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is Cc1cc(N)nn1CC(F)(F)F.
What is the InChIKey of 5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The InChIKey is KTWXVQOHLGSELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-4-2-5(10)11-12(4)3-6(7,8)9/h2H,3H2,1H3,(H2,10,11).
What are the key properties of 5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine has a molecular weight of 179.15 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 19622835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).