1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine

C7H10F3N3 — CID 83381940

IUPAC1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine
SMILESCC(c1c(N)cnn1C)C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-4(7(8,9)10)6-5(11)3-12-13(6)2/h3-4H,11H2,1-2H3
InChIKeyKARIZUCMARYDQA-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.67
Rot. Bonds1

About 1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine

1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine (PubChem CID 83381940) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine
PubChem CID83381940
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine
SMILESCC(c1c(N)cnn1C)C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-4(7(8,9)10)6-5(11)3-12-13(6)2/h3-4H,11H2,1-2H3
InChIKeyKARIZUCMARYDQA-UHFFFAOYSA-N
XLogP1.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazol-4-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 1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine?
The IUPAC name of 1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine (CID 83381940) is 1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine is CC(c1c(N)cnn1C)C(F)(F)F.
What is the InChIKey of 1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine?
The InChIKey is KARIZUCMARYDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-4(7(8,9)10)6-5(11)3-12-13(6)2/h3-4H,11H2,1-2H3.
What are the key properties of 1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine?
1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine has a molecular weight of 193.17 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine is sourced from PubChem (CID 83381940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).