4-[4-(3-cyclopentyltriazol-4-yl)phenyl]-3-fluorobenzonitrile

C20H17FN4 — CID 129017840

IUPAC4-[4-(3-cyclopentyltriazol-4-yl)phenyl]-3-fluorobenzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3cnnn3C3CCCC3)cc2)c(F)c1
InChIInChI=1S/C20H17FN4/c21-19-11-14(12-22)5-10-18(19)15-6-8-16(9-7-15)20-13-23-24-25(20)17-3-1-2-4-17/h5-11,13,17H,1-4H2
InChIKeyFJIIJHQLKLWNTI-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.74
Rot. Bonds3

About 4-[4-(3-cyclopentyltriazol-4-yl)phenyl]-3-fluorobenzonitrile

4-[4-(3-cyclopentyltriazol-4-yl)phenyl]-3-fluorobenzonitrile (PubChem CID 129017840) has the molecular formula C20H17FN4 and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-[4-(3-cyclopentyltriazol-4-yl)phenyl]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[4-(3-cyclopentyltriazol-4-yl)phenyl]-3-fluorobenzonitrile
PubChem CID129017840
Molecular FormulaC20H17FN4
Molecular Weight332.38 g/mol
Exact Mass332.14
IUPAC Name4-[4-(3-cyclopentyltriazol-4-yl)phenyl]-3-fluorobenzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3cnnn3C3CCCC3)cc2)c(F)c1
InChIInChI=1S/C20H17FN4/c21-19-11-14(12-22)5-10-18(19)15-6-8-16(9-7-15)20-13-23-24-25(20)17-3-1-2-4-17/h5-11,13,17H,1-4H2
InChIKeyFJIIJHQLKLWNTI-UHFFFAOYSA-N
XLogP4.74
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-(3-cyclopentyltriazol-4-yl)phenyl]-3-fluorobenzonitrile 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 4-[4-(3-cyclopentyltriazol-4-yl)phenyl]-3-fluorobenzonitrile?
The IUPAC name of 4-[4-(3-cyclopentyltriazol-4-yl)phenyl]-3-fluorobenzonitrile (CID 129017840) is 4-[4-(3-cyclopentyltriazol-4-yl)phenyl]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[4-(3-cyclopentyltriazol-4-yl)phenyl]-3-fluorobenzonitrile?
The canonical SMILES for 4-[4-(3-cyclopentyltriazol-4-yl)phenyl]-3-fluorobenzonitrile is N#Cc1ccc(-c2ccc(-c3cnnn3C3CCCC3)cc2)c(F)c1.
What is the InChIKey of 4-[4-(3-cyclopentyltriazol-4-yl)phenyl]-3-fluorobenzonitrile?
The InChIKey is FJIIJHQLKLWNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4/c21-19-11-14(12-22)5-10-18(19)15-6-8-16(9-7-15)20-13-23-24-25(20)17-3-1-2-4-17/h5-11,13,17H,1-4H2.
What are the key properties of 4-[4-(3-cyclopentyltriazol-4-yl)phenyl]-3-fluorobenzonitrile?
4-[4-(3-cyclopentyltriazol-4-yl)phenyl]-3-fluorobenzonitrile has a molecular weight of 332.38 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-cyclopentyltriazol-4-yl)phenyl]-3-fluorobenzonitrile is sourced from PubChem (CID 129017840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).