N-(4-tert-butylphenyl)-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C17H20F3N3O — CID 86828280

IUPACN-(4-tert-butylphenyl)-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn(C)nc1C(F)(F)F)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H20F3N3O/c1-16(2,3)11-6-8-12(9-7-11)23(5)15(24)13-10-22(4)21-14(13)17(18,19)20/h6-10H,1-5H3
InChIKeyGQKATHCYDBCTMJ-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.01
Rot. Bonds2

About N-(4-tert-butylphenyl)-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-(4-tert-butylphenyl)-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 86828280) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID86828280
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC NameN-(4-tert-butylphenyl)-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn(C)nc1C(F)(F)F)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H20F3N3O/c1-16(2,3)11-6-8-12(9-7-11)23(5)15(24)13-10-22(4)21-14(13)17(18,19)20/h6-10H,1-5H3
InChIKeyGQKATHCYDBCTMJ-UHFFFAOYSA-N
XLogP4.01
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 86828280) is N-(4-tert-butylphenyl)-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide is CN(C(=O)c1cn(C)nc1C(F)(F)F)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is GQKATHCYDBCTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c1-16(2,3)11-6-8-12(9-7-11)23(5)15(24)13-10-22(4)21-14(13)17(18,19)20/h6-10H,1-5H3.
What are the key properties of N-(4-tert-butylphenyl)-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-(4-tert-butylphenyl)-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 86828280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).