5-(indazol-1-ylmethyl)-2-methoxybenzonitrile

C16H13N3O — CID 65344079

IUPAC5-(indazol-1-ylmethyl)-2-methoxybenzonitrile
SMILESCOc1ccc(Cn2ncc3ccccc32)cc1C#N
InChIInChI=1S/C16H13N3O/c1-20-16-7-6-12(8-14(16)9-17)11-19-15-5-3-2-4-13(15)10-18-19/h2-8,10H,11H2,1H3
InChIKeyWKOOJKSPIZKFPI-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.96
Rot. Bonds3

About 5-(indazol-1-ylmethyl)-2-methoxybenzonitrile

5-(indazol-1-ylmethyl)-2-methoxybenzonitrile (PubChem CID 65344079) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-(indazol-1-ylmethyl)-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-(indazol-1-ylmethyl)-2-methoxybenzonitrile
PubChem CID65344079
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name5-(indazol-1-ylmethyl)-2-methoxybenzonitrile
SMILESCOc1ccc(Cn2ncc3ccccc32)cc1C#N
InChIInChI=1S/C16H13N3O/c1-20-16-7-6-12(8-14(16)9-17)11-19-15-5-3-2-4-13(15)10-18-19/h2-8,10H,11H2,1H3
InChIKeyWKOOJKSPIZKFPI-UHFFFAOYSA-N
XLogP2.96
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(indazol-1-ylmethyl)-2-methoxybenzonitrile
CID 106788410
1-[(3-bromo-4-methoxyphenyl)methyl]indazole
CID 62140207
5-[(4-bromopyrazol-1-yl)methyl]-2-methoxybenzonitrile
CID 65339635
1-benzyl-5,6-dimethoxyindazole
CID 83414174
2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile
CID 65343965
4-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]-2-methoxybenzonitrile
CID 106793163
methyl 2-[4-(indazol-1-ylmethyl)-2-nitrophenoxy]propanoate
CID 66717225
2-methoxy-5-(phenylmethoxymethyl)benzonitrile
CID 65343797
4-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]-2-methoxybenzonitrile
CID 106788475
5-[[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]methyl]-2-methoxybenzonitrile
CID 65344339
2-methoxy-5-[(5-methylindol-1-yl)methyl]benzonitrile
CID 116623043
methyl 3-[(3-cyano-4-methoxyphenyl)methyl]-2-methylimidazole-4-carboxylate
CID 65339391

Frequently Asked Questions

What is the IUPAC name of 5-(indazol-1-ylmethyl)-2-methoxybenzonitrile?
The IUPAC name of 5-(indazol-1-ylmethyl)-2-methoxybenzonitrile (CID 65344079) is 5-(indazol-1-ylmethyl)-2-methoxybenzonitrile.
What is the SMILES notation for 5-(indazol-1-ylmethyl)-2-methoxybenzonitrile?
The canonical SMILES for 5-(indazol-1-ylmethyl)-2-methoxybenzonitrile is COc1ccc(Cn2ncc3ccccc32)cc1C#N.
What is the InChIKey of 5-(indazol-1-ylmethyl)-2-methoxybenzonitrile?
The InChIKey is WKOOJKSPIZKFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-20-16-7-6-12(8-14(16)9-17)11-19-15-5-3-2-4-13(15)10-18-19/h2-8,10H,11H2,1H3.
What are the key properties of 5-(indazol-1-ylmethyl)-2-methoxybenzonitrile?
5-(indazol-1-ylmethyl)-2-methoxybenzonitrile has a molecular weight of 263.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(indazol-1-ylmethyl)-2-methoxybenzonitrile is sourced from PubChem (CID 65344079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).