1-(4,4-difluorocyclohexyl)pyrazol-4-amine

C9H13F2N3 — CID 84733811

IUPAC1-(4,4-difluorocyclohexyl)pyrazol-4-amine
SMILESNc1cnn(C2CCC(F)(F)CC2)c1
InChIInChI=1S/C9H13F2N3/c10-9(11)3-1-8(2-4-9)14-6-7(12)5-13-14/h5-6,8H,1-4,12H2
InChIKeyRYHGLJAIXAROKK-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.22
Rot. Bonds1

About 1-(4,4-difluorocyclohexyl)pyrazol-4-amine

1-(4,4-difluorocyclohexyl)pyrazol-4-amine (PubChem CID 84733811) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)pyrazol-4-amine
PubChem CID84733811
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name1-(4,4-difluorocyclohexyl)pyrazol-4-amine
SMILESNc1cnn(C2CCC(F)(F)CC2)c1
InChIInChI=1S/C9H13F2N3/c10-9(11)3-1-8(2-4-9)14-6-7(12)5-13-14/h5-6,8H,1-4,12H2
InChIKeyRYHGLJAIXAROKK-UHFFFAOYSA-N
XLogP2.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4,4-difluorocyclohexyl)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-(4,4-difluorocyclohexyl)pyrazol-4-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)pyrazol-4-amine (CID 84733811) is 1-(4,4-difluorocyclohexyl)pyrazol-4-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)pyrazol-4-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)pyrazol-4-amine is Nc1cnn(C2CCC(F)(F)CC2)c1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)pyrazol-4-amine?
The InChIKey is RYHGLJAIXAROKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c10-9(11)3-1-8(2-4-9)14-6-7(12)5-13-14/h5-6,8H,1-4,12H2.
What are the key properties of 1-(4,4-difluorocyclohexyl)pyrazol-4-amine?
1-(4,4-difluorocyclohexyl)pyrazol-4-amine has a molecular weight of 201.22 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)pyrazol-4-amine is sourced from PubChem (CID 84733811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).