1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide

C16H17F3N4O2S — CID 58955782

IUPAC1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide
SMILESCn1nc(-c2ccc(C(=O)N3CCCC(C(N)=O)C3)s2)cc1C(F)(F)F
InChIInChI=1S/C16H17F3N4O2S/c1-22-13(16(17,18)19)7-10(21-22)11-4-5-12(26-11)15(25)23-6-2-3-9(8-23)14(20)24/h4-5,7,9H,2-3,6,8H2,1H3,(H2,20,24)
InChIKeyDPUMIDNUEKROLS-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.50
Rot. Bonds3

About 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide

1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide (PubChem CID 58955782) has the molecular formula C16H17F3N4O2S and a molecular weight of 386.40 g/mol. Its IUPAC name is 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide
PubChem CID58955782
Molecular FormulaC16H17F3N4O2S
Molecular Weight386.40 g/mol
Exact Mass386.10
IUPAC Name1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide
SMILESCn1nc(-c2ccc(C(=O)N3CCCC(C(N)=O)C3)s2)cc1C(F)(F)F
InChIInChI=1S/C16H17F3N4O2S/c1-22-13(16(17,18)19)7-10(21-22)11-4-5-12(26-11)15(25)23-6-2-3-9(8-23)14(20)24/h4-5,7,9H,2-3,6,8H2,1H3,(H2,20,24)
InChIKeyDPUMIDNUEKROLS-UHFFFAOYSA-N
XLogP2.50
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-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 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide (CID 58955782) is 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide is Cn1nc(-c2ccc(C(=O)N3CCCC(C(N)=O)C3)s2)cc1C(F)(F)F.
What is the InChIKey of 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide?
The InChIKey is DPUMIDNUEKROLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2S/c1-22-13(16(17,18)19)7-10(21-22)11-4-5-12(26-11)15(25)23-6-2-3-9(8-23)14(20)24/h4-5,7,9H,2-3,6,8H2,1H3,(H2,20,24).
What are the key properties of 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide?
1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 58955782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).