4-[5-ethenyl-2-(2-methylindazol-5-yl)phenyl]-2-methylbenzonitrile

C24H19N3 — CID 175639232

IUPAC4-[5-ethenyl-2-(2-methylindazol-5-yl)phenyl]-2-methylbenzonitrile
SMILESC=Cc1ccc(-c2ccc3nn(C)cc3c2)c(-c2ccc(C#N)c(C)c2)c1
InChIInChI=1S/C24H19N3/c1-4-17-5-9-22(19-8-10-24-21(13-19)15-27(3)26-24)23(12-17)18-6-7-20(14-25)16(2)11-18/h4-13,15H,1H2,2-3H3
InChIKeyAQCUKTQTQUTQLJ-UHFFFAOYSA-N
MW349.44 g/mol
LogP5.73
Rot. Bonds3

About 4-[5-ethenyl-2-(2-methylindazol-5-yl)phenyl]-2-methylbenzonitrile

4-[5-ethenyl-2-(2-methylindazol-5-yl)phenyl]-2-methylbenzonitrile (PubChem CID 175639232) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[5-ethenyl-2-(2-methylindazol-5-yl)phenyl]-2-methylbenzonitrile.

Molecular Properties

Compound Name4-[5-ethenyl-2-(2-methylindazol-5-yl)phenyl]-2-methylbenzonitrile
PubChem CID175639232
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name4-[5-ethenyl-2-(2-methylindazol-5-yl)phenyl]-2-methylbenzonitrile
SMILESC=Cc1ccc(-c2ccc3nn(C)cc3c2)c(-c2ccc(C#N)c(C)c2)c1
InChIInChI=1S/C24H19N3/c1-4-17-5-9-22(19-8-10-24-21(13-19)15-27(3)26-24)23(12-17)18-6-7-20(14-25)16(2)11-18/h4-13,15H,1H2,2-3H3
InChIKeyAQCUKTQTQUTQLJ-UHFFFAOYSA-N
XLogP5.73
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[5-ethenyl-2-(2-methylindazol-5-yl)phenyl]-2-methylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,4-dimethylphenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole
CID 25137978
6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-5-carbonitrile
CID 155817684
1-(Propyl-pyridin-4-yl-amino)-1H-indole-3-carbonitrile
CID 10636193
(5R)-5-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 167269729
Pyrazole-based inhibitor, 24
CID 91896041
4-(1-indazolyliminomethyl)-N,N-dimethylaniline
CID 6900072
(NE)-N-[5-[1-methyl-3-(1-methylindazol-5-yl)pyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 44587236
1-(4-Fluorophenyl)-5-[2-(trifluoromethyl)phenyl]indazole
CID 46830504
2-[1-(4-Fluorophenyl)indazol-5-yl]benzonitrile
CID 46830507
4-(4-Methyl-3-pyridinyl)-1-phenylindazole
CID 127033243
4-[4-(1-Methylindazol-6-yl)piperazin-1-yl]isoquinoline-6-carbonitrile
CID 155530568
3-(3,4-dimethylphenyl)-1-phenyl-1H-pyrazolo[4,3-c]quinoline
CID 15990629

Frequently Asked Questions

What is the IUPAC name of 4-[5-ethenyl-2-(2-methylindazol-5-yl)phenyl]-2-methylbenzonitrile?
The IUPAC name of 4-[5-ethenyl-2-(2-methylindazol-5-yl)phenyl]-2-methylbenzonitrile (CID 175639232) is 4-[5-ethenyl-2-(2-methylindazol-5-yl)phenyl]-2-methylbenzonitrile.
What is the SMILES notation for 4-[5-ethenyl-2-(2-methylindazol-5-yl)phenyl]-2-methylbenzonitrile?
The canonical SMILES for 4-[5-ethenyl-2-(2-methylindazol-5-yl)phenyl]-2-methylbenzonitrile is C=Cc1ccc(-c2ccc3nn(C)cc3c2)c(-c2ccc(C#N)c(C)c2)c1.
What is the InChIKey of 4-[5-ethenyl-2-(2-methylindazol-5-yl)phenyl]-2-methylbenzonitrile?
The InChIKey is AQCUKTQTQUTQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3/c1-4-17-5-9-22(19-8-10-24-21(13-19)15-27(3)26-24)23(12-17)18-6-7-20(14-25)16(2)11-18/h4-13,15H,1H2,2-3H3.
What are the key properties of 4-[5-ethenyl-2-(2-methylindazol-5-yl)phenyl]-2-methylbenzonitrile?
4-[5-ethenyl-2-(2-methylindazol-5-yl)phenyl]-2-methylbenzonitrile has a molecular weight of 349.44 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-ethenyl-2-(2-methylindazol-5-yl)phenyl]-2-methylbenzonitrile is sourced from PubChem (CID 175639232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).