4-(4-pyrazol-1-ylphenyl)-1H-pyridin-2-one

C14H11N3O — CID 139757385

IUPAC4-(4-pyrazol-1-ylphenyl)-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc(-n3cccn3)cc2)cc[nH]1
InChIInChI=1S/C14H11N3O/c18-14-10-12(6-8-15-14)11-2-4-13(5-3-11)17-9-1-7-16-17/h1-10H,(H,15,18)
InChIKeyNIJGFLZWIHRULV-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.23
Rot. Bonds2

About 4-(4-pyrazol-1-ylphenyl)-1H-pyridin-2-one

4-(4-pyrazol-1-ylphenyl)-1H-pyridin-2-one (PubChem CID 139757385) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(4-pyrazol-1-ylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(4-pyrazol-1-ylphenyl)-1H-pyridin-2-one
PubChem CID139757385
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name4-(4-pyrazol-1-ylphenyl)-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc(-n3cccn3)cc2)cc[nH]1
InChIInChI=1S/C14H11N3O/c18-14-10-12(6-8-15-14)11-2-4-13(5-3-11)17-9-1-7-16-17/h1-10H,(H,15,18)
InChIKeyNIJGFLZWIHRULV-UHFFFAOYSA-N
XLogP2.23
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole
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1-[4-[(4-pyrazol-1-ylphenyl)disulfanyl]phenyl]pyrazole
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5-(4-pyrazol-1-ylphenyl)-2,3-dihydrothiophene 1,1-dioxide
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1-(3,4-dichlorophenyl)pyrazole
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4-pyrazol-1-ylbenzoate
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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrazol-1-ylphenyl)-1H-pyridin-2-one?
The IUPAC name of 4-(4-pyrazol-1-ylphenyl)-1H-pyridin-2-one (CID 139757385) is 4-(4-pyrazol-1-ylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(4-pyrazol-1-ylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(4-pyrazol-1-ylphenyl)-1H-pyridin-2-one is O=c1cc(-c2ccc(-n3cccn3)cc2)cc[nH]1.
What is the InChIKey of 4-(4-pyrazol-1-ylphenyl)-1H-pyridin-2-one?
The InChIKey is NIJGFLZWIHRULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-14-10-12(6-8-15-14)11-2-4-13(5-3-11)17-9-1-7-16-17/h1-10H,(H,15,18).
What are the key properties of 4-(4-pyrazol-1-ylphenyl)-1H-pyridin-2-one?
4-(4-pyrazol-1-ylphenyl)-1H-pyridin-2-one has a molecular weight of 237.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrazol-1-ylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 139757385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).