N,1,3,5-tetramethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxamide

C13H15F3N4OS — CID 71983790

IUPACN,1,3,5-tetramethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(C)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H15F3N4OS/c1-7-11(8(2)20(4)18-7)12(21)19(3)5-10-17-9(6-22-10)13(14,15)16/h6H,5H2,1-4H3
InChIKeyCPISIIJTSQLJSU-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.78
Rot. Bonds3

About N,1,3,5-tetramethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxamide

N,1,3,5-tetramethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 71983790) has the molecular formula C13H15F3N4OS and a molecular weight of 332.35 g/mol. Its IUPAC name is N,1,3,5-tetramethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1,3,5-tetramethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxamide
PubChem CID71983790
Molecular FormulaC13H15F3N4OS
Molecular Weight332.35 g/mol
Exact Mass332.09
IUPAC NameN,1,3,5-tetramethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(C)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H15F3N4OS/c1-7-11(8(2)20(4)18-7)12(21)19(3)5-10-17-9(6-22-10)13(14,15)16/h6H,5H2,1-4H3
InChIKeyCPISIIJTSQLJSU-UHFFFAOYSA-N
XLogP2.78
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,1,3,5-tetramethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxamide 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 N,1,3,5-tetramethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N,1,3,5-tetramethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxamide (CID 71983790) is N,1,3,5-tetramethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N,1,3,5-tetramethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N,1,3,5-tetramethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)N(C)Cc1nc(C(F)(F)F)cs1.
What is the InChIKey of N,1,3,5-tetramethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is CPISIIJTSQLJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4OS/c1-7-11(8(2)20(4)18-7)12(21)19(3)5-10-17-9(6-22-10)13(14,15)16/h6H,5H2,1-4H3.
What are the key properties of N,1,3,5-tetramethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxamide?
N,1,3,5-tetramethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 332.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3,5-tetramethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 71983790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).