2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carbonitrile

C12H12N4O — CID 86725477

IUPAC2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carbonitrile
SMILESCCCc1cc(=O)n(-c2cc(C#N)ccn2)[nH]1
InChIInChI=1S/C12H12N4O/c1-2-3-10-7-12(17)16(15-10)11-6-9(8-13)4-5-14-11/h4-7,15H,2-3H2,1H3
InChIKeyLJKXODCXRWBGRM-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.38
Rot. Bonds3

About 2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carbonitrile

2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carbonitrile (PubChem CID 86725477) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carbonitrile
PubChem CID86725477
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carbonitrile
SMILESCCCc1cc(=O)n(-c2cc(C#N)ccn2)[nH]1
InChIInChI=1S/C12H12N4O/c1-2-3-10-7-12(17)16(15-10)11-6-9(8-13)4-5-14-11/h4-7,15H,2-3H2,1H3
InChIKeyLJKXODCXRWBGRM-UHFFFAOYSA-N
XLogP1.38
TPSA74.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-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 2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carbonitrile (CID 86725477) is 2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carbonitrile is CCCc1cc(=O)n(-c2cc(C#N)ccn2)[nH]1.
What is the InChIKey of 2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carbonitrile?
The InChIKey is LJKXODCXRWBGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-2-3-10-7-12(17)16(15-10)11-6-9(8-13)4-5-14-11/h4-7,15H,2-3H2,1H3.
What are the key properties of 2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carbonitrile?
2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carbonitrile has a molecular weight of 228.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 86725477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).