1-(furan-2-yl)-2-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid

C20H20N4O7S — CID 71780708

IUPAC1-(furan-2-yl)-2-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid
SMILESO=C(CN1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1)c1ccco1.O=C(O)C(=O)O
InChIInChI=1S/C18H18N4O3S.C2H2O4/c23-15(16-3-1-9-25-16)12-21-5-7-22(8-6-21)18(24)14-11-13(19-20-14)17-4-2-10-26-17;3-1(4)2(5)6/h1-4,9-11H,5-8,12H2,(H,19,20);(H,3,4)(H,5,6)
InChIKeyOIRMSLNLCALUIF-UHFFFAOYSA-N
MW460.47 g/mol
LogP1.53
Rot. Bonds5

About 1-(furan-2-yl)-2-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid

1-(furan-2-yl)-2-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid (PubChem CID 71780708) has the molecular formula C20H20N4O7S and a molecular weight of 460.47 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid
PubChem CID71780708
Molecular FormulaC20H20N4O7S
Molecular Weight460.47 g/mol
Exact Mass460.11
IUPAC Name1-(furan-2-yl)-2-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid
SMILESO=C(CN1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1)c1ccco1.O=C(O)C(=O)O
InChIInChI=1S/C18H18N4O3S.C2H2O4/c23-15(16-3-1-9-25-16)12-21-5-7-22(8-6-21)18(24)14-11-13(19-20-14)17-4-2-10-26-17;3-1(4)2(5)6/h1-4,9-11H,5-8,12H2,(H,19,20);(H,3,4)(H,5,6)
InChIKeyOIRMSLNLCALUIF-UHFFFAOYSA-N
XLogP1.53
TPSA157.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid
CID 71780728
(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19514981
N-benzyl-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidine-4-carboxamide
CID 78887605
2-[4-(2,1,3-benzothiadiazole-5-carbonyl)piperazin-1-yl]-1-(furan-2-yl)ethanone;oxalic acid
CID 71780710
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 78903013
pyridin-3-yl-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 20911024
1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355098
[4-(2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 46856970
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 78880496
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 78898970
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 126854198
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 70848747

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid?
The IUPAC name of 1-(furan-2-yl)-2-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid (CID 71780708) is 1-(furan-2-yl)-2-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid.
What is the SMILES notation for 1-(furan-2-yl)-2-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid?
The canonical SMILES for 1-(furan-2-yl)-2-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid is O=C(CN1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1)c1ccco1.O=C(O)C(=O)O.
What is the InChIKey of 1-(furan-2-yl)-2-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid?
The InChIKey is OIRMSLNLCALUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S.C2H2O4/c23-15(16-3-1-9-25-16)12-21-5-7-22(8-6-21)18(24)14-11-13(19-20-14)17-4-2-10-26-17;3-1(4)2(5)6/h1-4,9-11H,5-8,12H2,(H,19,20);(H,3,4)(H,5,6).
What are the key properties of 1-(furan-2-yl)-2-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid?
1-(furan-2-yl)-2-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid has a molecular weight of 460.47 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid is sourced from PubChem (CID 71780708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).