N-(4-piperidin-1-yloxolan-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide

C17H22N4O2S — CID 171359327

IUPACN-(4-piperidin-1-yloxolan-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1COCC1N1CCCCC1)c1cc(-c2ccsc2)n[nH]1
InChIInChI=1S/C17H22N4O2S/c22-17(14-8-13(19-20-14)12-4-7-24-11-12)18-15-9-23-10-16(15)21-5-2-1-3-6-21/h4,7-8,11,15-16H,1-3,5-6,9-10H2,(H,18,22)(H,19,20)
InChIKeyCXUCFEDSNMYDCO-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.12
Rot. Bonds4

About N-(4-piperidin-1-yloxolan-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide

N-(4-piperidin-1-yloxolan-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide (PubChem CID 171359327) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-(4-piperidin-1-yloxolan-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-yloxolan-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
PubChem CID171359327
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-(4-piperidin-1-yloxolan-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1COCC1N1CCCCC1)c1cc(-c2ccsc2)n[nH]1
InChIInChI=1S/C17H22N4O2S/c22-17(14-8-13(19-20-14)12-4-7-24-11-12)18-15-9-23-10-16(15)21-5-2-1-3-6-21/h4,7-8,11,15-16H,1-3,5-6,9-10H2,(H,18,22)(H,19,20)
InChIKeyCXUCFEDSNMYDCO-UHFFFAOYSA-N
XLogP2.12
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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5-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-ylethyl)-1H-pyrazole-3-carboxamide
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5-(5-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)-1H-pyrazole-3-carboxamide
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(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 53498731
(5-propan-2-yl-1H-pyrazol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
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5-(5-methylthiophen-2-yl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
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5-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-yloxolan-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-piperidin-1-yloxolan-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide (CID 171359327) is N-(4-piperidin-1-yloxolan-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-piperidin-1-yloxolan-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-piperidin-1-yloxolan-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide is O=C(NC1COCC1N1CCCCC1)c1cc(-c2ccsc2)n[nH]1.
What is the InChIKey of N-(4-piperidin-1-yloxolan-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide?
The InChIKey is CXUCFEDSNMYDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c22-17(14-8-13(19-20-14)12-4-7-24-11-12)18-15-9-23-10-16(15)21-5-2-1-3-6-21/h4,7-8,11,15-16H,1-3,5-6,9-10H2,(H,18,22)(H,19,20).
What are the key properties of N-(4-piperidin-1-yloxolan-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide?
N-(4-piperidin-1-yloxolan-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-yloxolan-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 171359327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).