2-(4-chlorophenyl)-5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-1H-pyrazol-3-one

C20H17ClN4O — CID 1473334

IUPAC2-(4-chlorophenyl)-5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-1H-pyrazol-3-one
SMILESCc1cc(-c2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)n(-c2ccccc2)n1
InChIInChI=1S/C20H17ClN4O/c1-13-12-18(24(22-13)16-6-4-3-5-7-16)19-14(2)23-25(20(19)26)17-10-8-15(21)9-11-17/h3-12,23H,1-2H3
InChIKeyZPNMLIXYABYUPS-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.29
Rot. Bonds3

About 2-(4-chlorophenyl)-5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-1H-pyrazol-3-one

2-(4-chlorophenyl)-5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-1H-pyrazol-3-one (PubChem CID 1473334) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-1H-pyrazol-3-one
PubChem CID1473334
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name2-(4-chlorophenyl)-5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-1H-pyrazol-3-one
SMILESCc1cc(-c2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)n(-c2ccccc2)n1
InChIInChI=1S/C20H17ClN4O/c1-13-12-18(24(22-13)16-6-4-3-5-7-16)19-14(2)23-25(20(19)26)17-10-8-15(21)9-11-17/h3-12,23H,1-2H3
InChIKeyZPNMLIXYABYUPS-UHFFFAOYSA-N
XLogP4.29
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-1H-pyrazol-3-one 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 2-(4-chlorophenyl)-5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-1H-pyrazol-3-one?
The IUPAC name of 2-(4-chlorophenyl)-5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-1H-pyrazol-3-one (CID 1473334) is 2-(4-chlorophenyl)-5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-1H-pyrazol-3-one is Cc1cc(-c2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)n(-c2ccccc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-1H-pyrazol-3-one?
The InChIKey is ZPNMLIXYABYUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c1-13-12-18(24(22-13)16-6-4-3-5-7-16)19-14(2)23-25(20(19)26)17-10-8-15(21)9-11-17/h3-12,23H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-1H-pyrazol-3-one?
2-(4-chlorophenyl)-5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-1H-pyrazol-3-one has a molecular weight of 364.84 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 1473334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).