3-(2-methoxyphenyl)-1H-indazole-5-carbonitrile

C15H11N3O — CID 22480039

IUPAC3-(2-methoxyphenyl)-1H-indazole-5-carbonitrile
SMILESCOc1ccccc1-c1n[nH]c2ccc(C#N)cc12
InChIInChI=1S/C15H11N3O/c1-19-14-5-3-2-4-11(14)15-12-8-10(9-16)6-7-13(12)17-18-15/h2-8H,1H3,(H,17,18)
InChIKeyCNOCGAJPXSSXAE-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.11
Rot. Bonds2

About 3-(2-methoxyphenyl)-1H-indazole-5-carbonitrile

3-(2-methoxyphenyl)-1H-indazole-5-carbonitrile (PubChem CID 22480039) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1H-indazole-5-carbonitrile.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1H-indazole-5-carbonitrile
PubChem CID22480039
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name3-(2-methoxyphenyl)-1H-indazole-5-carbonitrile
SMILESCOc1ccccc1-c1n[nH]c2ccc(C#N)cc12
InChIInChI=1S/C15H11N3O/c1-19-14-5-3-2-4-11(14)15-12-8-10(9-16)6-7-13(12)17-18-15/h2-8H,1H3,(H,17,18)
InChIKeyCNOCGAJPXSSXAE-UHFFFAOYSA-N
XLogP3.11
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1H-indazole-5-carbonitrile?
The IUPAC name of 3-(2-methoxyphenyl)-1H-indazole-5-carbonitrile (CID 22480039) is 3-(2-methoxyphenyl)-1H-indazole-5-carbonitrile.
What is the SMILES notation for 3-(2-methoxyphenyl)-1H-indazole-5-carbonitrile?
The canonical SMILES for 3-(2-methoxyphenyl)-1H-indazole-5-carbonitrile is COc1ccccc1-c1n[nH]c2ccc(C#N)cc12.
What is the InChIKey of 3-(2-methoxyphenyl)-1H-indazole-5-carbonitrile?
The InChIKey is CNOCGAJPXSSXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c1-19-14-5-3-2-4-11(14)15-12-8-10(9-16)6-7-13(12)17-18-15/h2-8H,1H3,(H,17,18).
What are the key properties of 3-(2-methoxyphenyl)-1H-indazole-5-carbonitrile?
3-(2-methoxyphenyl)-1H-indazole-5-carbonitrile has a molecular weight of 249.27 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1H-indazole-5-carbonitrile is sourced from PubChem (CID 22480039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).