1-methyl-N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

C15H16F3N3O — CID 19918466

IUPAC1-methyl-N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C15H16F3N3O/c1-9(2)10-6-4-5-7-12(10)19-14(22)11-8-21(3)20-13(11)15(16,17)18/h4-9H,1-3H3,(H,19,22)
InChIKeyTYNAHTLVVXSRAA-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.81
Rot. Bonds3

About 1-methyl-N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 19918466) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 1-methyl-N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID19918466
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name1-methyl-N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C15H16F3N3O/c1-9(2)10-6-4-5-7-12(10)19-14(22)11-8-21(3)20-13(11)15(16,17)18/h4-9H,1-3H3,(H,19,22)
InChIKeyTYNAHTLVVXSRAA-UHFFFAOYSA-N
XLogP3.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 19918466) is 1-methyl-N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is CC(C)c1ccccc1NC(=O)c1cn(C)nc1C(F)(F)F.
What is the InChIKey of 1-methyl-N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is TYNAHTLVVXSRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-9(2)10-6-4-5-7-12(10)19-14(22)11-8-21(3)20-13(11)15(16,17)18/h4-9H,1-3H3,(H,19,22).
What are the key properties of 1-methyl-N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 311.31 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 19918466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).