2-(3-chlorophenyl)-1-methyl-4-phenyl-5-propan-2-ylpyrazol-3-one

C19H19ClN2O — CID 134087050

IUPAC2-(3-chlorophenyl)-1-methyl-4-phenyl-5-propan-2-ylpyrazol-3-one
SMILESCC(C)c1c(-c2ccccc2)c(=O)n(-c2cccc(Cl)c2)n1C
InChIInChI=1S/C19H19ClN2O/c1-13(2)18-17(14-8-5-4-6-9-14)19(23)22(21(18)3)16-11-7-10-15(20)12-16/h4-13H,1-3H3
InChIKeyYMXFCSMPQNASQJ-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.62
Rot. Bonds3

About 2-(3-chlorophenyl)-1-methyl-4-phenyl-5-propan-2-ylpyrazol-3-one

2-(3-chlorophenyl)-1-methyl-4-phenyl-5-propan-2-ylpyrazol-3-one (PubChem CID 134087050) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-methyl-4-phenyl-5-propan-2-ylpyrazol-3-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-methyl-4-phenyl-5-propan-2-ylpyrazol-3-one
PubChem CID134087050
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name2-(3-chlorophenyl)-1-methyl-4-phenyl-5-propan-2-ylpyrazol-3-one
SMILESCC(C)c1c(-c2ccccc2)c(=O)n(-c2cccc(Cl)c2)n1C
InChIInChI=1S/C19H19ClN2O/c1-13(2)18-17(14-8-5-4-6-9-14)19(23)22(21(18)3)16-11-7-10-15(20)12-16/h4-13H,1-3H3
InChIKeyYMXFCSMPQNASQJ-UHFFFAOYSA-N
XLogP4.62
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chlorophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 2841663
2-(3-chlorophenyl)-1,5-dimethyl-4-nitrosopyrazol-3-one
CID 13279460
3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 789711
3-[4-(3-chlorophenyl)piperazin-1-yl]-4-(4-propan-2-ylphenyl)cyclobut-3-ene-1,2-dione
CID 22551540
2-[(3-chlorophenyl)methyl]-5-methyl-4-phenyl-1H-pyrazol-3-one
CID 22769211
N-(5-chloro-2-methoxyphenyl)-3,3-dimethyl-N'-(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)pentanediamide
CID 118332387
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol
CID 66437016
6-(3-chlorophenyl)-2-methylpyridazin-3-one
CID 102592574
1-methyl-3-oxo-2,5-diphenylpyrazole-4-carboxylic acid
CID 170985188
1,5-dimethyl-2-phenyl-4-[1,2,2-tris(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)ethyl]pyrazol-3-one
CID 3366535
4-(3-chlorophenyl)-2,6-di(propan-2-yl)phenol
CID 58077898
3-chloro-N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]benzamide
CID 1298459

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-methyl-4-phenyl-5-propan-2-ylpyrazol-3-one?
The IUPAC name of 2-(3-chlorophenyl)-1-methyl-4-phenyl-5-propan-2-ylpyrazol-3-one (CID 134087050) is 2-(3-chlorophenyl)-1-methyl-4-phenyl-5-propan-2-ylpyrazol-3-one.
What is the SMILES notation for 2-(3-chlorophenyl)-1-methyl-4-phenyl-5-propan-2-ylpyrazol-3-one?
The canonical SMILES for 2-(3-chlorophenyl)-1-methyl-4-phenyl-5-propan-2-ylpyrazol-3-one is CC(C)c1c(-c2ccccc2)c(=O)n(-c2cccc(Cl)c2)n1C.
What is the InChIKey of 2-(3-chlorophenyl)-1-methyl-4-phenyl-5-propan-2-ylpyrazol-3-one?
The InChIKey is YMXFCSMPQNASQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-13(2)18-17(14-8-5-4-6-9-14)19(23)22(21(18)3)16-11-7-10-15(20)12-16/h4-13H,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-1-methyl-4-phenyl-5-propan-2-ylpyrazol-3-one?
2-(3-chlorophenyl)-1-methyl-4-phenyl-5-propan-2-ylpyrazol-3-one has a molecular weight of 326.83 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-methyl-4-phenyl-5-propan-2-ylpyrazol-3-one is sourced from PubChem (CID 134087050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).