1-[1-(4-chlorophenyl)-4-(4-methylbenzoyl)pyrazol-3-yl]ethanone

C19H15ClN2O2 — CID 902113

IUPAC1-[1-(4-chlorophenyl)-4-(4-methylbenzoyl)pyrazol-3-yl]ethanone
SMILESCC(=O)c1nn(-c2ccc(Cl)cc2)cc1C(=O)c1ccc(C)cc1
InChIInChI=1S/C19H15ClN2O2/c1-12-3-5-14(6-4-12)19(24)17-11-22(21-18(17)13(2)23)16-9-7-15(20)8-10-16/h3-11H,1-2H3
InChIKeyUMIVTZHJABCOPG-UHFFFAOYSA-N
MW338.79 g/mol
LogP4.27
Rot. Bonds4

About 1-[1-(4-chlorophenyl)-4-(4-methylbenzoyl)pyrazol-3-yl]ethanone

1-[1-(4-chlorophenyl)-4-(4-methylbenzoyl)pyrazol-3-yl]ethanone (PubChem CID 902113) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-4-(4-methylbenzoyl)pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-4-(4-methylbenzoyl)pyrazol-3-yl]ethanone
PubChem CID902113
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name1-[1-(4-chlorophenyl)-4-(4-methylbenzoyl)pyrazol-3-yl]ethanone
SMILESCC(=O)c1nn(-c2ccc(Cl)cc2)cc1C(=O)c1ccc(C)cc1
InChIInChI=1S/C19H15ClN2O2/c1-12-3-5-14(6-4-12)19(24)17-11-22(21-18(17)13(2)23)16-9-7-15(20)8-10-16/h3-11H,1-2H3
InChIKeyUMIVTZHJABCOPG-UHFFFAOYSA-N
XLogP4.27
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-4-(4-methylbenzoyl)pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-(4-chlorophenyl)-4-(4-methylbenzoyl)pyrazol-3-yl]ethanone (CID 902113) is 1-[1-(4-chlorophenyl)-4-(4-methylbenzoyl)pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-4-(4-methylbenzoyl)pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-(4-chlorophenyl)-4-(4-methylbenzoyl)pyrazol-3-yl]ethanone is CC(=O)c1nn(-c2ccc(Cl)cc2)cc1C(=O)c1ccc(C)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-4-(4-methylbenzoyl)pyrazol-3-yl]ethanone?
The InChIKey is UMIVTZHJABCOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c1-12-3-5-14(6-4-12)19(24)17-11-22(21-18(17)13(2)23)16-9-7-15(20)8-10-16/h3-11H,1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)-4-(4-methylbenzoyl)pyrazol-3-yl]ethanone?
1-[1-(4-chlorophenyl)-4-(4-methylbenzoyl)pyrazol-3-yl]ethanone has a molecular weight of 338.79 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-4-(4-methylbenzoyl)pyrazol-3-yl]ethanone is sourced from PubChem (CID 902113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).