3-(1-pyridin-2-ylpyrazol-3-yl)benzonitrile

C15H10N4 — CID 10236192

IUPAC3-(1-pyridin-2-ylpyrazol-3-yl)benzonitrile
SMILESN#Cc1cccc(-c2ccn(-c3ccccn3)n2)c1
InChIInChI=1S/C15H10N4/c16-11-12-4-3-5-13(10-12)14-7-9-19(18-14)15-6-1-2-8-17-15/h1-10H
InChIKeyLQROCYQCXGUXNA-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.81
Rot. Bonds2

About 3-(1-pyridin-2-ylpyrazol-3-yl)benzonitrile

3-(1-pyridin-2-ylpyrazol-3-yl)benzonitrile (PubChem CID 10236192) has the molecular formula C15H10N4 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-(1-pyridin-2-ylpyrazol-3-yl)benzonitrile.

Molecular Properties

Compound Name3-(1-pyridin-2-ylpyrazol-3-yl)benzonitrile
PubChem CID10236192
Molecular FormulaC15H10N4
Molecular Weight246.27 g/mol
Exact Mass246.09
IUPAC Name3-(1-pyridin-2-ylpyrazol-3-yl)benzonitrile
SMILESN#Cc1cccc(-c2ccn(-c3ccccn3)n2)c1
InChIInChI=1S/C15H10N4/c16-11-12-4-3-5-13(10-12)14-7-9-19(18-14)15-6-1-2-8-17-15/h1-10H
InChIKeyLQROCYQCXGUXNA-UHFFFAOYSA-N
XLogP2.81
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-pyridin-2-ylpyrazol-3-yl)benzonitrile?
The IUPAC name of 3-(1-pyridin-2-ylpyrazol-3-yl)benzonitrile (CID 10236192) is 3-(1-pyridin-2-ylpyrazol-3-yl)benzonitrile.
What is the SMILES notation for 3-(1-pyridin-2-ylpyrazol-3-yl)benzonitrile?
The canonical SMILES for 3-(1-pyridin-2-ylpyrazol-3-yl)benzonitrile is N#Cc1cccc(-c2ccn(-c3ccccn3)n2)c1.
What is the InChIKey of 3-(1-pyridin-2-ylpyrazol-3-yl)benzonitrile?
The InChIKey is LQROCYQCXGUXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4/c16-11-12-4-3-5-13(10-12)14-7-9-19(18-14)15-6-1-2-8-17-15/h1-10H.
What are the key properties of 3-(1-pyridin-2-ylpyrazol-3-yl)benzonitrile?
3-(1-pyridin-2-ylpyrazol-3-yl)benzonitrile has a molecular weight of 246.27 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyridin-2-ylpyrazol-3-yl)benzonitrile is sourced from PubChem (CID 10236192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).