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

C14H16F3N3OS — CID 18925403

IUPACN-(2-butan-2-ylthiophen-3-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCC(C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C14H16F3N3OS/c1-4-8(2)11-10(5-6-22-11)18-13(21)9-7-20(3)19-12(9)14(15,16)17/h5-8H,4H2,1-3H3,(H,18,21)
InChIKeyUECCMHQWKSPAAL-UHFFFAOYSA-N
MW331.36 g/mol
LogP4.27
Rot. Bonds4

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

N-(2-butan-2-ylthiophen-3-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 18925403) has the molecular formula C14H16F3N3OS and a molecular weight of 331.36 g/mol. Its IUPAC name is N-(2-butan-2-ylthiophen-3-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-butan-2-ylthiophen-3-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID18925403
Molecular FormulaC14H16F3N3OS
Molecular Weight331.36 g/mol
Exact Mass331.10
IUPAC NameN-(2-butan-2-ylthiophen-3-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCC(C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C14H16F3N3OS/c1-4-8(2)11-10(5-6-22-11)18-13(21)9-7-20(3)19-12(9)14(15,16)17/h5-8H,4H2,1-3H3,(H,18,21)
InChIKeyUECCMHQWKSPAAL-UHFFFAOYSA-N
XLogP4.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-butan-2-ylthiophen-3-yl)-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-ylthiophen-3-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2-butan-2-ylthiophen-3-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 18925403) is N-(2-butan-2-ylthiophen-3-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-butan-2-ylthiophen-3-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-butan-2-ylthiophen-3-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is CCC(C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F.
What is the InChIKey of N-(2-butan-2-ylthiophen-3-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is UECCMHQWKSPAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3OS/c1-4-8(2)11-10(5-6-22-11)18-13(21)9-7-20(3)19-12(9)14(15,16)17/h5-8H,4H2,1-3H3,(H,18,21).
What are the key properties of N-(2-butan-2-ylthiophen-3-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-(2-butan-2-ylthiophen-3-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 331.36 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylthiophen-3-yl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 18925403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).