1-(difluoromethyl)-3,5-dimethylpyrazol-4-amine

C6H9F2N3 — CID 19585908

IUPAC1-(difluoromethyl)-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(C(F)F)c(C)c1N
InChIInChI=1S/C6H9F2N3/c1-3-5(9)4(2)11(10-3)6(7)8/h6H,9H2,1-2H3
InChIKeyJMTGHVLWAIVQTO-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.48
Rot. Bonds1

About 1-(difluoromethyl)-3,5-dimethylpyrazol-4-amine

1-(difluoromethyl)-3,5-dimethylpyrazol-4-amine (PubChem CID 19585908) has the molecular formula C6H9F2N3 and a molecular weight of 161.16 g/mol. Its IUPAC name is 1-(difluoromethyl)-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-3,5-dimethylpyrazol-4-amine
PubChem CID19585908
Molecular FormulaC6H9F2N3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name1-(difluoromethyl)-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(C(F)F)c(C)c1N
InChIInChI=1S/C6H9F2N3/c1-3-5(9)4(2)11(10-3)6(7)8/h6H,9H2,1-2H3
InChIKeyJMTGHVLWAIVQTO-UHFFFAOYSA-N
XLogP1.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(difluoromethyl)-3,5-dimethylpyrazol-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-(difluoromethyl)-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-(difluoromethyl)-3,5-dimethylpyrazol-4-amine (CID 19585908) is 1-(difluoromethyl)-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-(difluoromethyl)-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-(difluoromethyl)-3,5-dimethylpyrazol-4-amine is Cc1nn(C(F)F)c(C)c1N.
What is the InChIKey of 1-(difluoromethyl)-3,5-dimethylpyrazol-4-amine?
The InChIKey is JMTGHVLWAIVQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3/c1-3-5(9)4(2)11(10-3)6(7)8/h6H,9H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-3,5-dimethylpyrazol-4-amine?
1-(difluoromethyl)-3,5-dimethylpyrazol-4-amine has a molecular weight of 161.16 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 19585908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).