2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one

C13H10ClN3OS — CID 830644

IUPAC2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)C1
InChIInChI=1S/C13H10ClN3OS/c1-8-6-12(18)17(16-8)13-15-11(7-19-13)9-2-4-10(14)5-3-9/h2-5,7H,6H2,1H3
InChIKeyAFVYJYMYFLKDSD-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.58
Rot. Bonds2

About 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one

2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one (PubChem CID 830644) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one
PubChem CID830644
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC Name2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)C1
InChIInChI=1S/C13H10ClN3OS/c1-8-6-12(18)17(16-8)13-15-11(7-19-13)9-2-4-10(14)5-3-9/h2-5,7H,6H2,1H3
InChIKeyAFVYJYMYFLKDSD-UHFFFAOYSA-N
XLogP3.58
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-4H-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-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one (CID 830644) is 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one is CC1=NN(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)C1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one?
The InChIKey is AFVYJYMYFLKDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c1-8-6-12(18)17(16-8)13-15-11(7-19-13)9-2-4-10(14)5-3-9/h2-5,7H,6H2,1H3.
What are the key properties of 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one?
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one has a molecular weight of 291.76 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 830644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).