5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyridin-2-one

C14H11N3O — CID 50984818

IUPAC5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(-c3ccn[nH]3)cc2)c[nH]1
InChIInChI=1S/C14H11N3O/c18-14-6-5-12(9-15-14)10-1-3-11(4-2-10)13-7-8-16-17-13/h1-9H,(H,15,18)(H,16,17)
InChIKeyKFWJRMGKEWPIGQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.43
Rot. Bonds2

About 5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyridin-2-one

5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyridin-2-one (PubChem CID 50984818) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyridin-2-one
PubChem CID50984818
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(-c3ccn[nH]3)cc2)c[nH]1
InChIInChI=1S/C14H11N3O/c18-14-6-5-12(9-15-14)10-1-3-11(4-2-10)13-7-8-16-17-13/h1-9H,(H,15,18)(H,16,17)
InChIKeyKFWJRMGKEWPIGQ-UHFFFAOYSA-N
XLogP2.43
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyridin-2-one 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 5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyridin-2-one (CID 50984818) is 5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyridin-2-one is O=c1ccc(-c2ccc(-c3ccn[nH]3)cc2)c[nH]1.
What is the InChIKey of 5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyridin-2-one?
The InChIKey is KFWJRMGKEWPIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-14-6-5-12(9-15-14)10-1-3-11(4-2-10)13-7-8-16-17-13/h1-9H,(H,15,18)(H,16,17).
What are the key properties of 5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyridin-2-one?
5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyridin-2-one has a molecular weight of 237.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 50984818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).