5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-2-carboxamide

C15H18N4O2S — CID 56778939

IUPAC5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CCCCC2Cn2cccn2)s1
InChIInChI=1S/C15H18N4O2S/c16-14(20)12-5-6-13(22-12)15(21)19-9-2-1-4-11(19)10-18-8-3-7-17-18/h3,5-8,11H,1-2,4,9-10H2,(H2,16,20)
InChIKeyPFPJYWKDBHYEJO-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.74
Rot. Bonds4

About 5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-2-carboxamide

5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-2-carboxamide (PubChem CID 56778939) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-2-carboxamide
PubChem CID56778939
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CCCCC2Cn2cccn2)s1
InChIInChI=1S/C15H18N4O2S/c16-14(20)12-5-6-13(22-12)15(21)19-9-2-1-4-11(19)10-18-8-3-7-17-18/h3,5-8,11H,1-2,4,9-10H2,(H2,16,20)
InChIKeyPFPJYWKDBHYEJO-UHFFFAOYSA-N
XLogP1.74
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-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-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-2-carboxamide?
The IUPAC name of 5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-2-carboxamide (CID 56778939) is 5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-2-carboxamide is NC(=O)c1ccc(C(=O)N2CCCCC2Cn2cccn2)s1.
What is the InChIKey of 5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-2-carboxamide?
The InChIKey is PFPJYWKDBHYEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c16-14(20)12-5-6-13(22-12)15(21)19-9-2-1-4-11(19)10-18-8-3-7-17-18/h3,5-8,11H,1-2,4,9-10H2,(H2,16,20).
What are the key properties of 5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-2-carboxamide?
5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]thiophene-2-carboxamide is sourced from PubChem (CID 56778939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).