2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone

C12H14ClN3OS — CID 105109672

IUPAC2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCCc1nn(C)c(CC(=O)c2csc(C)n2)c1Cl
InChIInChI=1S/C12H14ClN3OS/c1-4-8-12(13)10(16(3)15-8)5-11(17)9-6-18-7(2)14-9/h6H,4-5H2,1-3H3
InChIKeyYDFGMSDWACRXRH-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.83
Rot. Bonds4

About 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 105109672) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID105109672
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCCc1nn(C)c(CC(=O)c2csc(C)n2)c1Cl
InChIInChI=1S/C12H14ClN3OS/c1-4-8-12(13)10(16(3)15-8)5-11(17)9-6-18-7(2)14-9/h6H,4-5H2,1-3H3
InChIKeyYDFGMSDWACRXRH-UHFFFAOYSA-N
XLogP2.83
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-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

Related Compounds

1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116585620
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone
CID 107977022
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanone
CID 114980456
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 107967652
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)ethanone
CID 114980388
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116585874
3-amino-1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methylpentan-2-one
CID 116590517
1-(3-ethyl-1-methylpyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione
CID 102810732
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
1-(2-bromo-3,4-difluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 107538202
1-(2-amino-4-bromophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116591953
3-amino-1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methylhexan-2-one
CID 116557190

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 105109672) is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone is CCc1nn(C)c(CC(=O)c2csc(C)n2)c1Cl.
What is the InChIKey of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is YDFGMSDWACRXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-4-8-12(13)10(16(3)15-8)5-11(17)9-6-18-7(2)14-9/h6H,4-5H2,1-3H3.
What are the key properties of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone?
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 283.78 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 105109672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).