2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C11H10ClF3N4OS — CID 3546802

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)n1
InChIInChI=1S/C11H10ClF3N4OS/c1-5-4-21-10(16-5)17-7(20)3-19-6(2)8(12)9(18-19)11(13,14)15/h4H,3H2,1-2H3,(H,16,17,20)
InChIKeyKPMQHVLIUDPLRT-UHFFFAOYSA-N
MW338.74 g/mol
LogP3.27
Rot. Bonds3

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3546802) has the molecular formula C11H10ClF3N4OS and a molecular weight of 338.74 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID3546802
Molecular FormulaC11H10ClF3N4OS
Molecular Weight338.74 g/mol
Exact Mass338.02
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)n1
InChIInChI=1S/C11H10ClF3N4OS/c1-5-4-21-10(16-5)17-7(20)3-19-6(2)8(12)9(18-19)11(13,14)15/h4H,3H2,1-2H3,(H,16,17,20)
InChIKeyKPMQHVLIUDPLRT-UHFFFAOYSA-N
XLogP3.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.74
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2528589
N-(4-(2-amino-2-oxoethyl)thiazol-2-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 49720286
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 5143326
N-(4-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 19579726
1-[4-(4-Amino-1,3-thiazol-2-yl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 67608550
N-[2-[[4-(N'-hydroxycarbamimidoyl)-1,3-thiazol-2-yl]amino]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 174081817
N-[2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazol-4-yl]formamide
CID 175275697
N-(4-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2438932
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 4769563
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 4771535
2-[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 4772029
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 4772593

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 3546802) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)n1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is KPMQHVLIUDPLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4OS/c1-5-4-21-10(16-5)17-7(20)3-19-6(2)8(12)9(18-19)11(13,14)15/h4H,3H2,1-2H3,(H,16,17,20).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 338.74 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3546802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).