N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

C20H19F3N4O3S2 — CID 55977479

IUPACN-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H19F3N4O3S2/c21-20(22,23)14-4-1-2-6-17(14)32(29,30)27-9-7-13(8-10-27)19(28)24-18-12-15(25-26-18)16-5-3-11-31-16/h1-6,11-13H,7-10H2,(H2,24,25,26,28)
InChIKeyJIEKYPRIGDKPFD-UHFFFAOYSA-N
MW484.53 g/mol
LogP4.20
Rot. Bonds5

About N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 55977479) has the molecular formula C20H19F3N4O3S2 and a molecular weight of 484.53 g/mol. Its IUPAC name is N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID55977479
Molecular FormulaC20H19F3N4O3S2
Molecular Weight484.53 g/mol
Exact Mass484.09
IUPAC NameN-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H19F3N4O3S2/c21-20(22,23)14-4-1-2-6-17(14)32(29,30)27-9-7-13(8-10-27)19(28)24-18-12-15(25-26-18)16-5-3-11-31-16/h1-6,11-13H,7-10H2,(H2,24,25,26,28)
InChIKeyJIEKYPRIGDKPFD-UHFFFAOYSA-N
XLogP4.20
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-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-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 55977479) is N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is O=C(Nc1cc(-c2cccs2)[nH]n1)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is JIEKYPRIGDKPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3S2/c21-20(22,23)14-4-1-2-6-17(14)32(29,30)27-9-7-13(8-10-27)19(28)24-18-12-15(25-26-18)16-5-3-11-31-16/h1-6,11-13H,7-10H2,(H2,24,25,26,28).
What are the key properties of N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 484.53 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55977479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).