N-(5-piperidin-1-yl-2-pyridinyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C18H19N5OS — CID 78901118

IUPACN-(5-piperidin-1-yl-2-pyridinyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cn1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C18H19N5OS/c24-18(15-11-14(21-22-15)16-5-4-10-25-16)20-17-7-6-13(12-19-17)23-8-2-1-3-9-23/h4-7,10-12H,1-3,8-9H2,(H,21,22)(H,19,20,24)
InChIKeyFSMNRAJHJSCJEE-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.78
Rot. Bonds4

About N-(5-piperidin-1-yl-2-pyridinyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-(5-piperidin-1-yl-2-pyridinyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 78901118) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(5-piperidin-1-yl-2-pyridinyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-piperidin-1-yl-2-pyridinyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID78901118
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-(5-piperidin-1-yl-2-pyridinyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cn1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C18H19N5OS/c24-18(15-11-14(21-22-15)16-5-4-10-25-16)20-17-7-6-13(12-19-17)23-8-2-1-3-9-23/h4-7,10-12H,1-3,8-9H2,(H,21,22)(H,19,20,24)
InChIKeyFSMNRAJHJSCJEE-UHFFFAOYSA-N
XLogP3.78
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-piperidin-1-yl-2-pyridinyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(5-piperidin-1-yl-2-pyridinyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 78901118) is N-(5-piperidin-1-yl-2-pyridinyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-piperidin-1-yl-2-pyridinyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(5-piperidin-1-yl-2-pyridinyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(Nc1ccc(N2CCCCC2)cn1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-(5-piperidin-1-yl-2-pyridinyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is FSMNRAJHJSCJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c24-18(15-11-14(21-22-15)16-5-4-10-25-16)20-17-7-6-13(12-19-17)23-8-2-1-3-9-23/h4-7,10-12H,1-3,8-9H2,(H,21,22)(H,19,20,24).
What are the key properties of N-(5-piperidin-1-yl-2-pyridinyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-(5-piperidin-1-yl-2-pyridinyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-piperidin-1-yl-2-pyridinyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78901118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).