1-[3-(2-methyl-1,3-thiazol-5-yl)-1-phenylpyrazol-4-yl]ethanone

C15H13N3OS — CID 58059636

IUPAC1-[3-(2-methyl-1,3-thiazol-5-yl)-1-phenylpyrazol-4-yl]ethanone
SMILESCC(=O)c1cn(-c2ccccc2)nc1-c1cnc(C)s1
InChIInChI=1S/C15H13N3OS/c1-10(19)13-9-18(12-6-4-3-5-7-12)17-15(13)14-8-16-11(2)20-14/h3-9H,1-2H3
InChIKeyKRBAQVODUWBWLJ-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.51
Rot. Bonds3

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

1-[3-(2-methyl-1,3-thiazol-5-yl)-1-phenylpyrazol-4-yl]ethanone (PubChem CID 58059636) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-[3-(2-methyl-1,3-thiazol-5-yl)-1-phenylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-methyl-1,3-thiazol-5-yl)-1-phenylpyrazol-4-yl]ethanone
PubChem CID58059636
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name1-[3-(2-methyl-1,3-thiazol-5-yl)-1-phenylpyrazol-4-yl]ethanone
SMILESCC(=O)c1cn(-c2ccccc2)nc1-c1cnc(C)s1
InChIInChI=1S/C15H13N3OS/c1-10(19)13-9-18(12-6-4-3-5-7-12)17-15(13)14-8-16-11(2)20-14/h3-9H,1-2H3
InChIKeyKRBAQVODUWBWLJ-UHFFFAOYSA-N
XLogP3.51
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(2-methyl-1,3-thiazol-5-yl)-1-phenylpyrazol-4-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-[3-(2-methyl-1,3-thiazol-5-yl)-1-phenylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[3-(2-methyl-1,3-thiazol-5-yl)-1-phenylpyrazol-4-yl]ethanone (CID 58059636) is 1-[3-(2-methyl-1,3-thiazol-5-yl)-1-phenylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-(2-methyl-1,3-thiazol-5-yl)-1-phenylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[3-(2-methyl-1,3-thiazol-5-yl)-1-phenylpyrazol-4-yl]ethanone is CC(=O)c1cn(-c2ccccc2)nc1-c1cnc(C)s1.
What is the InChIKey of 1-[3-(2-methyl-1,3-thiazol-5-yl)-1-phenylpyrazol-4-yl]ethanone?
The InChIKey is KRBAQVODUWBWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-10(19)13-9-18(12-6-4-3-5-7-12)17-15(13)14-8-16-11(2)20-14/h3-9H,1-2H3.
What are the key properties of 1-[3-(2-methyl-1,3-thiazol-5-yl)-1-phenylpyrazol-4-yl]ethanone?
1-[3-(2-methyl-1,3-thiazol-5-yl)-1-phenylpyrazol-4-yl]ethanone has a molecular weight of 283.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methyl-1,3-thiazol-5-yl)-1-phenylpyrazol-4-yl]ethanone is sourced from PubChem (CID 58059636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).