2-chloro-6-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile

C16H16ClN3O — CID 80963175

IUPAC2-chloro-6-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile
SMILESN#Cc1c(Cl)cccc1OCc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H16ClN3O/c17-15-6-3-7-16(14(15)10-18)21-11-12-8-9-20(19-12)13-4-1-2-5-13/h3,6-9,13H,1-2,4-5,11H2
InChIKeyNDAZSIRNNQSJLP-UHFFFAOYSA-N
MW301.78 g/mol
LogP4.10
Rot. Bonds4

About 2-chloro-6-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile

2-chloro-6-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile (PubChem CID 80963175) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-chloro-6-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name2-chloro-6-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile
PubChem CID80963175
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-chloro-6-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile
SMILESN#Cc1c(Cl)cccc1OCc1ccn(C2CCCC2)n1
InChIInChI=1S/C16H16ClN3O/c17-15-6-3-7-16(14(15)10-18)21-11-12-8-9-20(19-12)13-4-1-2-5-13/h3,6-9,13H,1-2,4-5,11H2
InChIKeyNDAZSIRNNQSJLP-UHFFFAOYSA-N
XLogP4.10
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-6-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile 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 2-chloro-6-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile?
The IUPAC name of 2-chloro-6-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile (CID 80963175) is 2-chloro-6-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile.
What is the SMILES notation for 2-chloro-6-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile?
The canonical SMILES for 2-chloro-6-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile is N#Cc1c(Cl)cccc1OCc1ccn(C2CCCC2)n1.
What is the InChIKey of 2-chloro-6-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile?
The InChIKey is NDAZSIRNNQSJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-15-6-3-7-16(14(15)10-18)21-11-12-8-9-20(19-12)13-4-1-2-5-13/h3,6-9,13H,1-2,4-5,11H2.
What are the key properties of 2-chloro-6-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile?
2-chloro-6-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile has a molecular weight of 301.78 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile is sourced from PubChem (CID 80963175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).