1-[5-(4-chlorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone

C17H15ClN2O2 — CID 135065272

IUPAC1-[5-(4-chlorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone
SMILESCC(=O)N1N=C(c2ccccc2)CC1(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c1-12(21)20-17(22,14-7-9-15(18)10-8-14)11-16(19-20)13-5-3-2-4-6-13/h2-10,22H,11H2,1H3
InChIKeyLJKXBGZGFKEONA-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.14
Rot. Bonds2

About 1-[5-(4-chlorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone

1-[5-(4-chlorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone (PubChem CID 135065272) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone
PubChem CID135065272
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name1-[5-(4-chlorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone
SMILESCC(=O)N1N=C(c2ccccc2)CC1(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c1-12(21)20-17(22,14-7-9-15(18)10-8-14)11-16(19-20)13-5-3-2-4-6-13/h2-10,22H,11H2,1H3
InChIKeyLJKXBGZGFKEONA-UHFFFAOYSA-N
XLogP3.14
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-(4-chlorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone 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 1-[5-(4-chlorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone?
The IUPAC name of 1-[5-(4-chlorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone (CID 135065272) is 1-[5-(4-chlorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[5-(4-chlorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone is CC(=O)N1N=C(c2ccccc2)CC1(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone?
The InChIKey is LJKXBGZGFKEONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-12(21)20-17(22,14-7-9-15(18)10-8-14)11-16(19-20)13-5-3-2-4-6-13/h2-10,22H,11H2,1H3.
What are the key properties of 1-[5-(4-chlorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone?
1-[5-(4-chlorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone has a molecular weight of 314.77 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]ethanone is sourced from PubChem (CID 135065272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).