5-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

C16H20N4O2S — CID 71927144

IUPAC5-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc(C2CCCN(C(=O)CCc3cccs3)C2)[nH]n1
InChIInChI=1S/C16H20N4O2S/c17-16(22)14-9-13(18-19-14)11-3-1-7-20(10-11)15(21)6-5-12-4-2-8-23-12/h2,4,8-9,11H,1,3,5-7,10H2,(H2,17,22)(H,18,19)
InChIKeyYVQQDBVSXHMJBN-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.91
Rot. Bonds5

About 5-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 71927144) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 5-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID71927144
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name5-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1cc(C2CCCN(C(=O)CCc3cccs3)C2)[nH]n1
InChIInChI=1S/C16H20N4O2S/c17-16(22)14-9-13(18-19-14)11-3-1-7-20(10-11)15(21)6-5-12-4-2-8-23-12/h2,4,8-9,11H,1,3,5-7,10H2,(H2,17,22)(H,18,19)
InChIKeyYVQQDBVSXHMJBN-UHFFFAOYSA-N
XLogP1.91
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 71927144) is 5-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is NC(=O)c1cc(C2CCCN(C(=O)CCc3cccs3)C2)[nH]n1.
What is the InChIKey of 5-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is YVQQDBVSXHMJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c17-16(22)14-9-13(18-19-14)11-3-1-7-20(10-11)15(21)6-5-12-4-2-8-23-12/h2,4,8-9,11H,1,3,5-7,10H2,(H2,17,22)(H,18,19).
What are the key properties of 5-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71927144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).