3-oxo-4-(pyridine-4-carbonyl)-2-pyridin-4-yl-1H-pyrazole-5-carbonitrile

C15H9N5O2 — CID 170785942

IUPAC3-oxo-4-(pyridine-4-carbonyl)-2-pyridin-4-yl-1H-pyrazole-5-carbonitrile
SMILESN#Cc1[nH]n(-c2ccncc2)c(=O)c1C(=O)c1ccncc1
InChIInChI=1S/C15H9N5O2/c16-9-12-13(14(21)10-1-5-17-6-2-10)15(22)20(19-12)11-3-7-18-8-4-11/h1-8,19H
InChIKeyWACIZSKSWWLMDK-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.06
Rot. Bonds3

About 3-oxo-4-(pyridine-4-carbonyl)-2-pyridin-4-yl-1H-pyrazole-5-carbonitrile

3-oxo-4-(pyridine-4-carbonyl)-2-pyridin-4-yl-1H-pyrazole-5-carbonitrile (PubChem CID 170785942) has the molecular formula C15H9N5O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 3-oxo-4-(pyridine-4-carbonyl)-2-pyridin-4-yl-1H-pyrazole-5-carbonitrile.

Molecular Properties

Compound Name3-oxo-4-(pyridine-4-carbonyl)-2-pyridin-4-yl-1H-pyrazole-5-carbonitrile
PubChem CID170785942
Molecular FormulaC15H9N5O2
Molecular Weight291.27 g/mol
Exact Mass291.08
IUPAC Name3-oxo-4-(pyridine-4-carbonyl)-2-pyridin-4-yl-1H-pyrazole-5-carbonitrile
SMILESN#Cc1[nH]n(-c2ccncc2)c(=O)c1C(=O)c1ccncc1
InChIInChI=1S/C15H9N5O2/c16-9-12-13(14(21)10-1-5-17-6-2-10)15(22)20(19-12)11-3-7-18-8-4-11/h1-8,19H
InChIKeyWACIZSKSWWLMDK-UHFFFAOYSA-N
XLogP1.06
TPSA104.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-oxo-4-(pyridine-4-carbonyl)-2-pyridin-4-yl-1H-pyrazole-5-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-oxo-4-(pyridine-4-carbonyl)-2-pyridin-4-yl-1H-pyrazole-5-carbonitrile?
The IUPAC name of 3-oxo-4-(pyridine-4-carbonyl)-2-pyridin-4-yl-1H-pyrazole-5-carbonitrile (CID 170785942) is 3-oxo-4-(pyridine-4-carbonyl)-2-pyridin-4-yl-1H-pyrazole-5-carbonitrile.
What is the SMILES notation for 3-oxo-4-(pyridine-4-carbonyl)-2-pyridin-4-yl-1H-pyrazole-5-carbonitrile?
The canonical SMILES for 3-oxo-4-(pyridine-4-carbonyl)-2-pyridin-4-yl-1H-pyrazole-5-carbonitrile is N#Cc1[nH]n(-c2ccncc2)c(=O)c1C(=O)c1ccncc1.
What is the InChIKey of 3-oxo-4-(pyridine-4-carbonyl)-2-pyridin-4-yl-1H-pyrazole-5-carbonitrile?
The InChIKey is WACIZSKSWWLMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5O2/c16-9-12-13(14(21)10-1-5-17-6-2-10)15(22)20(19-12)11-3-7-18-8-4-11/h1-8,19H.
What are the key properties of 3-oxo-4-(pyridine-4-carbonyl)-2-pyridin-4-yl-1H-pyrazole-5-carbonitrile?
3-oxo-4-(pyridine-4-carbonyl)-2-pyridin-4-yl-1H-pyrazole-5-carbonitrile has a molecular weight of 291.27 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-4-(pyridine-4-carbonyl)-2-pyridin-4-yl-1H-pyrazole-5-carbonitrile is sourced from PubChem (CID 170785942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).