2-(1-cyclohexyl-3-ethylindazol-6-yl)acetonitrile

C17H21N3 — CID 22733812

IUPAC2-(1-cyclohexyl-3-ethylindazol-6-yl)acetonitrile
SMILESCCc1nn(C2CCCCC2)c2cc(CC#N)ccc12
InChIInChI=1S/C17H21N3/c1-2-16-15-9-8-13(10-11-18)12-17(15)20(19-16)14-6-4-3-5-7-14/h8-9,12,14H,2-7,10H2,1H3
InChIKeyWRIUSYXQRPJFLQ-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.17
Rot. Bonds3

About 2-(1-cyclohexyl-3-ethylindazol-6-yl)acetonitrile

2-(1-cyclohexyl-3-ethylindazol-6-yl)acetonitrile (PubChem CID 22733812) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(1-cyclohexyl-3-ethylindazol-6-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-cyclohexyl-3-ethylindazol-6-yl)acetonitrile
PubChem CID22733812
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-(1-cyclohexyl-3-ethylindazol-6-yl)acetonitrile
SMILESCCc1nn(C2CCCCC2)c2cc(CC#N)ccc12
InChIInChI=1S/C17H21N3/c1-2-16-15-9-8-13(10-11-18)12-17(15)20(19-16)14-6-4-3-5-7-14/h8-9,12,14H,2-7,10H2,1H3
InChIKeyWRIUSYXQRPJFLQ-UHFFFAOYSA-N
XLogP4.17
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-cyclohexyl-3-ethylindazol-6-yl)acetonitrile 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-(1-cyclohexyl-3-ethylindazol-6-yl)acetonitrile?
The IUPAC name of 2-(1-cyclohexyl-3-ethylindazol-6-yl)acetonitrile (CID 22733812) is 2-(1-cyclohexyl-3-ethylindazol-6-yl)acetonitrile.
What is the SMILES notation for 2-(1-cyclohexyl-3-ethylindazol-6-yl)acetonitrile?
The canonical SMILES for 2-(1-cyclohexyl-3-ethylindazol-6-yl)acetonitrile is CCc1nn(C2CCCCC2)c2cc(CC#N)ccc12.
What is the InChIKey of 2-(1-cyclohexyl-3-ethylindazol-6-yl)acetonitrile?
The InChIKey is WRIUSYXQRPJFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-16-15-9-8-13(10-11-18)12-17(15)20(19-16)14-6-4-3-5-7-14/h8-9,12,14H,2-7,10H2,1H3.
What are the key properties of 2-(1-cyclohexyl-3-ethylindazol-6-yl)acetonitrile?
2-(1-cyclohexyl-3-ethylindazol-6-yl)acetonitrile has a molecular weight of 267.38 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-3-ethylindazol-6-yl)acetonitrile is sourced from PubChem (CID 22733812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).