1-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone

C16H12ClN3O3S — CID 2415234

IUPAC1-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone
SMILESCc1ncc(CC(=O)n2cc(C(=O)c3cc(Cl)ccc3O)cn2)s1
InChIInChI=1S/C16H12ClN3O3S/c1-9-18-7-12(24-9)5-15(22)20-8-10(6-19-20)16(23)13-4-11(17)2-3-14(13)21/h2-4,6-8,21H,5H2,1H3
InChIKeyUSCSGFLVXLAPQD-UHFFFAOYSA-N
MW361.81 g/mol
LogP3.12
Rot. Bonds4

About 1-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone

1-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone (PubChem CID 2415234) has the molecular formula C16H12ClN3O3S and a molecular weight of 361.81 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone
PubChem CID2415234
Molecular FormulaC16H12ClN3O3S
Molecular Weight361.81 g/mol
Exact Mass361.03
IUPAC Name1-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone
SMILESCc1ncc(CC(=O)n2cc(C(=O)c3cc(Cl)ccc3O)cn2)s1
InChIInChI=1S/C16H12ClN3O3S/c1-9-18-7-12(24-9)5-15(22)20-8-10(6-19-20)16(23)13-4-11(17)2-3-14(13)21/h2-4,6-8,21H,5H2,1H3
InChIKeyUSCSGFLVXLAPQD-UHFFFAOYSA-N
XLogP3.12
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-5-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-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone (CID 2415234) is 1-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone is Cc1ncc(CC(=O)n2cc(C(=O)c3cc(Cl)ccc3O)cn2)s1.
What is the InChIKey of 1-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is USCSGFLVXLAPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3S/c1-9-18-7-12(24-9)5-15(22)20-8-10(6-19-20)16(23)13-4-11(17)2-3-14(13)21/h2-4,6-8,21H,5H2,1H3.
What are the key properties of 1-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone?
1-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 361.81 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 2415234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).