1-[(1-fluorocyclohexyl)methyl]pyrazole-4-carbonitrile

C11H14FN3 — CID 170152093

IUPAC1-[(1-fluorocyclohexyl)methyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(CC2(F)CCCCC2)c1
InChIInChI=1S/C11H14FN3/c12-11(4-2-1-3-5-11)9-15-8-10(6-13)7-14-15/h7-8H,1-5,9H2
InChIKeyASYCOTZKXFHSGG-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.43
Rot. Bonds2

About 1-[(1-fluorocyclohexyl)methyl]pyrazole-4-carbonitrile

1-[(1-fluorocyclohexyl)methyl]pyrazole-4-carbonitrile (PubChem CID 170152093) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-[(1-fluorocyclohexyl)methyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[(1-fluorocyclohexyl)methyl]pyrazole-4-carbonitrile
PubChem CID170152093
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name1-[(1-fluorocyclohexyl)methyl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(CC2(F)CCCCC2)c1
InChIInChI=1S/C11H14FN3/c12-11(4-2-1-3-5-11)9-15-8-10(6-13)7-14-15/h7-8H,1-5,9H2
InChIKeyASYCOTZKXFHSGG-UHFFFAOYSA-N
XLogP2.43
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(1-fluorocyclohexyl)methyl]pyrazole-4-carbonitrile 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-[(1-fluorocyclohexyl)methyl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[(1-fluorocyclohexyl)methyl]pyrazole-4-carbonitrile (CID 170152093) is 1-[(1-fluorocyclohexyl)methyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[(1-fluorocyclohexyl)methyl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[(1-fluorocyclohexyl)methyl]pyrazole-4-carbonitrile is N#Cc1cnn(CC2(F)CCCCC2)c1.
What is the InChIKey of 1-[(1-fluorocyclohexyl)methyl]pyrazole-4-carbonitrile?
The InChIKey is ASYCOTZKXFHSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c12-11(4-2-1-3-5-11)9-15-8-10(6-13)7-14-15/h7-8H,1-5,9H2.
What are the key properties of 1-[(1-fluorocyclohexyl)methyl]pyrazole-4-carbonitrile?
1-[(1-fluorocyclohexyl)methyl]pyrazole-4-carbonitrile has a molecular weight of 207.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-fluorocyclohexyl)methyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 170152093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).