5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide

C16H12F3N3OS — CID 3801312

IUPAC5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide
SMILESCn1nc(-c2ccc(C(=O)Nc3ccccc3)s2)cc1C(F)(F)F
InChIInChI=1S/C16H12F3N3OS/c1-22-14(16(17,18)19)9-11(21-22)12-7-8-13(24-12)15(23)20-10-5-3-2-4-6-10/h2-9H,1H3,(H,20,23)
InChIKeyUBTVXOVHICTBCN-UHFFFAOYSA-N
MW351.35 g/mol
LogP4.42
Rot. Bonds3

About 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide

5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide (PubChem CID 3801312) has the molecular formula C16H12F3N3OS and a molecular weight of 351.35 g/mol. Its IUPAC name is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide
PubChem CID3801312
Molecular FormulaC16H12F3N3OS
Molecular Weight351.35 g/mol
Exact Mass351.07
IUPAC Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide
SMILESCn1nc(-c2ccc(C(=O)Nc3ccccc3)s2)cc1C(F)(F)F
InChIInChI=1S/C16H12F3N3OS/c1-22-14(16(17,18)19)9-11(21-22)12-7-8-13(24-12)15(23)20-10-5-3-2-4-6-10/h2-9H,1H3,(H,20,23)
InChIKeyUBTVXOVHICTBCN-UHFFFAOYSA-N
XLogP4.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-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 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide?
The IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide (CID 3801312) is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide.
What is the SMILES notation for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide?
The canonical SMILES for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide is Cn1nc(-c2ccc(C(=O)Nc3ccccc3)s2)cc1C(F)(F)F.
What is the InChIKey of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide?
The InChIKey is UBTVXOVHICTBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3OS/c1-22-14(16(17,18)19)9-11(21-22)12-7-8-13(24-12)15(23)20-10-5-3-2-4-6-10/h2-9H,1H3,(H,20,23).
What are the key properties of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide?
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide has a molecular weight of 351.35 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide is sourced from PubChem (CID 3801312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).