4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C11H10ClF3N4OS — CID 19268088

IUPAC4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1nc(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)sc1C
InChIInChI=1S/C11H10ClF3N4OS/c1-4-5(2)21-10(16-4)17-9(20)7-6(12)8(11(13,14)15)19(3)18-7/h1-3H3,(H,16,17,20)
InChIKeyFGSURIJRVQVKGY-UHFFFAOYSA-N
MW338.74 g/mol
LogP3.42
Rot. Bonds2

About 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19268088) has the molecular formula C11H10ClF3N4OS and a molecular weight of 338.74 g/mol. Its IUPAC name is 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19268088
Molecular FormulaC11H10ClF3N4OS
Molecular Weight338.74 g/mol
Exact Mass338.02
IUPAC Name4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1nc(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)sc1C
InChIInChI=1S/C11H10ClF3N4OS/c1-4-5(2)21-10(16-4)17-9(20)7-6(12)8(11(13,14)15)19(3)18-7/h1-3H3,(H,16,17,20)
InChIKeyFGSURIJRVQVKGY-UHFFFAOYSA-N
XLogP3.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.74
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide 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

4-Chloro-1,3-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-5-carboxamide
CID 76334306
4-chloro-N-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 21801154
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 3546802
4-chloro-1-methyl-N-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4769706
4-chloro-1-methyl-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4769716
1-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 17025310
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267796
Ethyl 2-[2-[[4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19267940
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268392
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480279
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481148
Ethyl 2-[2-[[4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19481588

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19268088) is 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is Cc1nc(NC(=O)c2nn(C)c(C(F)(F)F)c2Cl)sc1C.
What is the InChIKey of 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is FGSURIJRVQVKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4OS/c1-4-5(2)21-10(16-4)17-9(20)7-6(12)8(11(13,14)15)19(3)18-7/h1-3H3,(H,16,17,20).
What are the key properties of 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 338.74 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19268088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).