4-[(4-chlorophenyl)methyl]-2-pyridin-2-yl-1H-pyrazol-3-one

C15H12ClN3O — CID 68759225

IUPAC4-[(4-chlorophenyl)methyl]-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESO=c1c(Cc2ccc(Cl)cc2)c[nH]n1-c1ccccn1
InChIInChI=1S/C15H12ClN3O/c16-13-6-4-11(5-7-13)9-12-10-18-19(15(12)20)14-3-1-2-8-17-14/h1-8,10,18H,9H2
InChIKeyRSLRPAUMUBBGMQ-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.80
Rot. Bonds3

About 4-[(4-chlorophenyl)methyl]-2-pyridin-2-yl-1H-pyrazol-3-one

4-[(4-chlorophenyl)methyl]-2-pyridin-2-yl-1H-pyrazol-3-one (PubChem CID 68759225) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-2-pyridin-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-2-pyridin-2-yl-1H-pyrazol-3-one
PubChem CID68759225
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name4-[(4-chlorophenyl)methyl]-2-pyridin-2-yl-1H-pyrazol-3-one
SMILESO=c1c(Cc2ccc(Cl)cc2)c[nH]n1-c1ccccn1
InChIInChI=1S/C15H12ClN3O/c16-13-6-4-11(5-7-13)9-12-10-18-19(15(12)20)14-3-1-2-8-17-14/h1-8,10,18H,9H2
InChIKeyRSLRPAUMUBBGMQ-UHFFFAOYSA-N
XLogP2.80
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-2-pyridin-2-yl-1H-pyrazol-3-one?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-2-pyridin-2-yl-1H-pyrazol-3-one (CID 68759225) is 4-[(4-chlorophenyl)methyl]-2-pyridin-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-2-pyridin-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-2-pyridin-2-yl-1H-pyrazol-3-one is O=c1c(Cc2ccc(Cl)cc2)c[nH]n1-c1ccccn1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-2-pyridin-2-yl-1H-pyrazol-3-one?
The InChIKey is RSLRPAUMUBBGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-13-6-4-11(5-7-13)9-12-10-18-19(15(12)20)14-3-1-2-8-17-14/h1-8,10,18H,9H2.
What are the key properties of 4-[(4-chlorophenyl)methyl]-2-pyridin-2-yl-1H-pyrazol-3-one?
4-[(4-chlorophenyl)methyl]-2-pyridin-2-yl-1H-pyrazol-3-one has a molecular weight of 285.73 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-2-pyridin-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 68759225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).