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

C16H18F3N3O — CID 19918463

IUPACN-(2-butan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C16H18F3N3O/c1-4-10(2)11-7-5-6-8-13(11)20-15(23)12-9-22(3)21-14(12)16(17,18)19/h5-10H,4H2,1-3H3,(H,20,23)
InChIKeyZTFXSGALUDXYAJ-UHFFFAOYSA-N
MW325.33 g/mol
LogP4.20
Rot. Bonds4

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

N-(2-butan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 19918463) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID19918463
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC NameN-(2-butan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCC(C)c1ccccc1NC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C16H18F3N3O/c1-4-10(2)11-7-5-6-8-13(11)20-15(23)12-9-22(3)21-14(12)16(17,18)19/h5-10H,4H2,1-3H3,(H,20,23)
InChIKeyZTFXSGALUDXYAJ-UHFFFAOYSA-N
XLogP4.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-butan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)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-(2-butan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 19918463) is N-(2-butan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is CCC(C)c1ccccc1NC(=O)c1cn(C)nc1C(F)(F)F.
What is the InChIKey of N-(2-butan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is ZTFXSGALUDXYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-4-10(2)11-7-5-6-8-13(11)20-15(23)12-9-22(3)21-14(12)16(17,18)19/h5-10H,4H2,1-3H3,(H,20,23).
What are the key properties of N-(2-butan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-(2-butan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 19918463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).