5-chloro-1-(4-fluorophenyl)-3-(methoxymethyl)pyrazole-4-carbonitrile

C12H9ClFN3O — CID 16767759

IUPAC5-chloro-1-(4-fluorophenyl)-3-(methoxymethyl)pyrazole-4-carbonitrile
SMILESCOCc1nn(-c2ccc(F)cc2)c(Cl)c1C#N
InChIInChI=1S/C12H9ClFN3O/c1-18-7-11-10(6-15)12(13)17(16-11)9-4-2-8(14)3-5-9/h2-5H,7H2,1H3
InChIKeyFOIAIZRAEOVTCG-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.68
Rot. Bonds3

About 5-chloro-1-(4-fluorophenyl)-3-(methoxymethyl)pyrazole-4-carbonitrile

5-chloro-1-(4-fluorophenyl)-3-(methoxymethyl)pyrazole-4-carbonitrile (PubChem CID 16767759) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-3-(methoxymethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-3-(methoxymethyl)pyrazole-4-carbonitrile
PubChem CID16767759
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC Name5-chloro-1-(4-fluorophenyl)-3-(methoxymethyl)pyrazole-4-carbonitrile
SMILESCOCc1nn(-c2ccc(F)cc2)c(Cl)c1C#N
InChIInChI=1S/C12H9ClFN3O/c1-18-7-11-10(6-15)12(13)17(16-11)9-4-2-8(14)3-5-9/h2-5H,7H2,1H3
InChIKeyFOIAIZRAEOVTCG-UHFFFAOYSA-N
XLogP2.68
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-1-(4-fluorophenyl)-3-(methoxymethyl)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 5-chloro-1-(4-fluorophenyl)-3-(methoxymethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-3-(methoxymethyl)pyrazole-4-carbonitrile (CID 16767759) is 5-chloro-1-(4-fluorophenyl)-3-(methoxymethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-3-(methoxymethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-3-(methoxymethyl)pyrazole-4-carbonitrile is COCc1nn(-c2ccc(F)cc2)c(Cl)c1C#N.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-3-(methoxymethyl)pyrazole-4-carbonitrile?
The InChIKey is FOIAIZRAEOVTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c1-18-7-11-10(6-15)12(13)17(16-11)9-4-2-8(14)3-5-9/h2-5H,7H2,1H3.
What are the key properties of 5-chloro-1-(4-fluorophenyl)-3-(methoxymethyl)pyrazole-4-carbonitrile?
5-chloro-1-(4-fluorophenyl)-3-(methoxymethyl)pyrazole-4-carbonitrile has a molecular weight of 265.68 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-3-(methoxymethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 16767759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).