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

C13H9ClFN3 — CID 63788275

IUPAC5-chloro-3-cyclopropyl-1-(3-fluorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(C2CC2)nn(-c2cccc(F)c2)c1Cl
InChIInChI=1S/C13H9ClFN3/c14-13-11(7-16)12(8-4-5-8)17-18(13)10-3-1-2-9(15)6-10/h1-3,6,8H,4-5H2
InChIKeyPAMIASCANWPAJU-UHFFFAOYSA-N
MW261.69 g/mol
LogP3.41
Rot. Bonds2

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

5-chloro-3-cyclopropyl-1-(3-fluorophenyl)pyrazole-4-carbonitrile (PubChem CID 63788275) has the molecular formula C13H9ClFN3 and a molecular weight of 261.69 g/mol. Its IUPAC name is 5-chloro-3-cyclopropyl-1-(3-fluorophenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-chloro-3-cyclopropyl-1-(3-fluorophenyl)pyrazole-4-carbonitrile
PubChem CID63788275
Molecular FormulaC13H9ClFN3
Molecular Weight261.69 g/mol
Exact Mass261.05
IUPAC Name5-chloro-3-cyclopropyl-1-(3-fluorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(C2CC2)nn(-c2cccc(F)c2)c1Cl
InChIInChI=1S/C13H9ClFN3/c14-13-11(7-16)12(8-4-5-8)17-18(13)10-3-1-2-9(15)6-10/h1-3,6,8H,4-5H2
InChIKeyPAMIASCANWPAJU-UHFFFAOYSA-N
XLogP3.41
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-3-cyclopropyl-1-(3-fluorophenyl)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-3-cyclopropyl-1-(3-fluorophenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-chloro-3-cyclopropyl-1-(3-fluorophenyl)pyrazole-4-carbonitrile (CID 63788275) is 5-chloro-3-cyclopropyl-1-(3-fluorophenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-chloro-3-cyclopropyl-1-(3-fluorophenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-chloro-3-cyclopropyl-1-(3-fluorophenyl)pyrazole-4-carbonitrile is N#Cc1c(C2CC2)nn(-c2cccc(F)c2)c1Cl.
What is the InChIKey of 5-chloro-3-cyclopropyl-1-(3-fluorophenyl)pyrazole-4-carbonitrile?
The InChIKey is PAMIASCANWPAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3/c14-13-11(7-16)12(8-4-5-8)17-18(13)10-3-1-2-9(15)6-10/h1-3,6,8H,4-5H2.
What are the key properties of 5-chloro-3-cyclopropyl-1-(3-fluorophenyl)pyrazole-4-carbonitrile?
5-chloro-3-cyclopropyl-1-(3-fluorophenyl)pyrazole-4-carbonitrile has a molecular weight of 261.69 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclopropyl-1-(3-fluorophenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 63788275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).