1-(4-fluoro-4-methylcyclohexyl)pyrazole

C10H15FN2 — CID 138656073

IUPAC1-(4-fluoro-4-methylcyclohexyl)pyrazole
SMILESCC1(F)CCC(n2cccn2)CC1
InChIInChI=1S/C10H15FN2/c1-10(11)5-3-9(4-6-10)13-8-2-7-12-13/h2,7-9H,3-6H2,1H3
InChIKeyBSBLXXGYPDXGSY-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.73
Rot. Bonds1

About 1-(4-fluoro-4-methylcyclohexyl)pyrazole

1-(4-fluoro-4-methylcyclohexyl)pyrazole (PubChem CID 138656073) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-(4-fluoro-4-methylcyclohexyl)pyrazole.

Molecular Properties

Compound Name1-(4-fluoro-4-methylcyclohexyl)pyrazole
PubChem CID138656073
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name1-(4-fluoro-4-methylcyclohexyl)pyrazole
SMILESCC1(F)CCC(n2cccn2)CC1
InChIInChI=1S/C10H15FN2/c1-10(11)5-3-9(4-6-10)13-8-2-7-12-13/h2,7-9H,3-6H2,1H3
InChIKeyBSBLXXGYPDXGSY-UHFFFAOYSA-N
XLogP2.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluoro-4-methylcyclohexyl)pyrazole 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-fluoro-4-methylcyclohexyl)pyrazole?
The IUPAC name of 1-(4-fluoro-4-methylcyclohexyl)pyrazole (CID 138656073) is 1-(4-fluoro-4-methylcyclohexyl)pyrazole.
What is the SMILES notation for 1-(4-fluoro-4-methylcyclohexyl)pyrazole?
The canonical SMILES for 1-(4-fluoro-4-methylcyclohexyl)pyrazole is CC1(F)CCC(n2cccn2)CC1.
What is the InChIKey of 1-(4-fluoro-4-methylcyclohexyl)pyrazole?
The InChIKey is BSBLXXGYPDXGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-10(11)5-3-9(4-6-10)13-8-2-7-12-13/h2,7-9H,3-6H2,1H3.
What are the key properties of 1-(4-fluoro-4-methylcyclohexyl)pyrazole?
1-(4-fluoro-4-methylcyclohexyl)pyrazole has a molecular weight of 182.24 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-4-methylcyclohexyl)pyrazole is sourced from PubChem (CID 138656073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).