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

C15H19F3N4OS — CID 170553995

IUPACN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1nc(C(NC(=O)c2cn(C)nc2C(F)(F)F)C(C)C)sc1C
InChIInChI=1S/C15H19F3N4OS/c1-7(2)11(14-19-8(3)9(4)24-14)20-13(23)10-6-22(5)21-12(10)15(16,17)18/h6-7,11H,1-5H3,(H,20,23)
InChIKeyKVEVNUKKPXMHQJ-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.64
Rot. Bonds4

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

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 170553995) has the molecular formula C15H19F3N4OS and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID170553995
Molecular FormulaC15H19F3N4OS
Molecular Weight360.41 g/mol
Exact Mass360.12
IUPAC NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1nc(C(NC(=O)c2cn(C)nc2C(F)(F)F)C(C)C)sc1C
InChIInChI=1S/C15H19F3N4OS/c1-7(2)11(14-19-8(3)9(4)24-14)20-13(23)10-6-22(5)21-12(10)15(16,17)18/h6-7,11H,1-5H3,(H,20,23)
InChIKeyKVEVNUKKPXMHQJ-UHFFFAOYSA-N
XLogP3.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 170553995) is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is Cc1nc(C(NC(=O)c2cn(C)nc2C(F)(F)F)C(C)C)sc1C.
What is the InChIKey of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is KVEVNUKKPXMHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4OS/c1-7(2)11(14-19-8(3)9(4)24-14)20-13(23)10-6-22(5)21-12(10)15(16,17)18/h6-7,11H,1-5H3,(H,20,23).
What are the key properties of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 170553995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).