N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide

C16H17F3N6OS — CID 134710214

IUPACN-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
SMILESCCc1c(C)nn(C)c1NC(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1
InChIInChI=1S/C16H17F3N6OS/c1-5-10-9(3)23-24(4)13(10)21-14(26)11-7-27-15(20-11)25-12(16(17,18)19)6-8(2)22-25/h6-7H,5H2,1-4H3,(H,21,26)
InChIKeyHOTXQGBNGRBBHH-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.51
Rot. Bonds4

About N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide

N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 134710214) has the molecular formula C16H17F3N6OS and a molecular weight of 398.41 g/mol. Its IUPAC name is N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID134710214
Molecular FormulaC16H17F3N6OS
Molecular Weight398.41 g/mol
Exact Mass398.11
IUPAC NameN-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
SMILESCCc1c(C)nn(C)c1NC(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1
InChIInChI=1S/C16H17F3N6OS/c1-5-10-9(3)23-24(4)13(10)21-14(26)11-7-27-15(20-11)25-12(16(17,18)19)6-8(2)22-25/h6-7H,5H2,1-4H3,(H,21,26)
InChIKeyHOTXQGBNGRBBHH-UHFFFAOYSA-N
XLogP3.51
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide (CID 134710214) is N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is CCc1c(C)nn(C)c1NC(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1.
What is the InChIKey of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is HOTXQGBNGRBBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6OS/c1-5-10-9(3)23-24(4)13(10)21-14(26)11-7-27-15(20-11)25-12(16(17,18)19)6-8(2)22-25/h6-7H,5H2,1-4H3,(H,21,26).
What are the key properties of N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134710214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).