1-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanone

C12H15N3OS — CID 63379227

IUPAC1-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanone
SMILESCCn1nc(C)c(-c2csc(C(C)=O)n2)c1C
InChIInChI=1S/C12H15N3OS/c1-5-15-8(3)11(7(2)14-15)10-6-17-12(13-10)9(4)16/h6H,5H2,1-4H3
InChIKeyZMCJGHFVIMFBBZ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.85
Rot. Bonds3

About 1-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanone

1-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanone (PubChem CID 63379227) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanone
PubChem CID63379227
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanone
SMILESCCn1nc(C)c(-c2csc(C(C)=O)n2)c1C
InChIInChI=1S/C12H15N3OS/c1-5-15-8(3)11(7(2)14-15)10-6-17-12(13-10)9(4)16/h6H,5H2,1-4H3
InChIKeyZMCJGHFVIMFBBZ-UHFFFAOYSA-N
XLogP2.85
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-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-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanone (CID 63379227) is 1-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanone is CCn1nc(C)c(-c2csc(C(C)=O)n2)c1C.
What is the InChIKey of 1-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is ZMCJGHFVIMFBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-5-15-8(3)11(7(2)14-15)10-6-17-12(13-10)9(4)16/h6H,5H2,1-4H3.
What are the key properties of 1-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanone?
1-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 249.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 63379227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).