5-(furan-2-yl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1H-pyrazole-3-carboxamide

C17H18N4O4S2 — CID 167798179

IUPAC5-(furan-2-yl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)c2cccs2)CC1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C17H18N4O4S2/c22-17(14-11-13(19-20-14)15-3-1-9-25-15)18-12-5-7-21(8-6-12)27(23,24)16-4-2-10-26-16/h1-4,9-12H,5-8H2,(H,18,22)(H,19,20)
InChIKeySBVLZUZQRYLSPQ-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.31
Rot. Bonds5

About 5-(furan-2-yl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1H-pyrazole-3-carboxamide (PubChem CID 167798179) has the molecular formula C17H18N4O4S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
PubChem CID167798179
Molecular FormulaC17H18N4O4S2
Molecular Weight406.49 g/mol
Exact Mass406.08
IUPAC Name5-(furan-2-yl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)c2cccs2)CC1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C17H18N4O4S2/c22-17(14-11-13(19-20-14)15-3-1-9-25-15)18-12-5-7-21(8-6-12)27(23,24)16-4-2-10-26-16/h1-4,9-12H,5-8H2,(H,18,22)(H,19,20)
InChIKeySBVLZUZQRYLSPQ-UHFFFAOYSA-N
XLogP2.31
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-2-yl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 167823705
4-fluoro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 35400940
2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 108561586
3-hydroxy-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 108562969
N'-(furan-2-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-4-carbohydrazide
CID 9477271
5-(furan-2-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
CID 95985082
5-(furan-2-yl)-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-3-carboxamide
CID 90633194
N-[1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33348830
2-phenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108560111
N-cyclopropyl-2-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoacetamide
CID 86992460
5-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide
CID 42951527
2,2-diphenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108559458

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1H-pyrazole-3-carboxamide (CID 167798179) is 5-(furan-2-yl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1H-pyrazole-3-carboxamide is O=C(NC1CCN(S(=O)(=O)c2cccs2)CC1)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is SBVLZUZQRYLSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S2/c22-17(14-11-13(19-20-14)15-3-1-9-25-15)18-12-5-7-21(8-6-12)27(23,24)16-4-2-10-26-16/h1-4,9-12H,5-8H2,(H,18,22)(H,19,20).
What are the key properties of 5-(furan-2-yl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 167798179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).