3-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile

C14H10N4 — CID 123414151

IUPAC3-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile
SMILESCc1cc2[nH]nc(-c3cccc(C#N)c3)c2cn1
InChIInChI=1S/C14H10N4/c1-9-5-13-12(8-16-9)14(18-17-13)11-4-2-3-10(6-11)7-15/h2-6,8H,1H3,(H,17,18)
InChIKeyFWKGZUCWRPDKTK-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.81
Rot. Bonds1

About 3-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile

3-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile (PubChem CID 123414151) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile.

Molecular Properties

Compound Name3-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile
PubChem CID123414151
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name3-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile
SMILESCc1cc2[nH]nc(-c3cccc(C#N)c3)c2cn1
InChIInChI=1S/C14H10N4/c1-9-5-13-12(8-16-9)14(18-17-13)11-4-2-3-10(6-11)7-15/h2-6,8H,1H3,(H,17,18)
InChIKeyFWKGZUCWRPDKTK-UHFFFAOYSA-N
XLogP2.81
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile?
The IUPAC name of 3-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile (CID 123414151) is 3-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile.
What is the SMILES notation for 3-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile?
The canonical SMILES for 3-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile is Cc1cc2[nH]nc(-c3cccc(C#N)c3)c2cn1.
What is the InChIKey of 3-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile?
The InChIKey is FWKGZUCWRPDKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c1-9-5-13-12(8-16-9)14(18-17-13)11-4-2-3-10(6-11)7-15/h2-6,8H,1H3,(H,17,18).
What are the key properties of 3-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile?
3-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)benzonitrile is sourced from PubChem (CID 123414151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).