1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one

C21H18N4O5 — CID 3240181

IUPAC1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H18N4O5/c26-18(23-7-9-24(10-8-23)20(27)17-6-3-11-29-17)13-25-19-14-4-1-2-5-16(14)30-21(28)15(19)12-22-25/h1-6,11-12H,7-10,13H2
InChIKeyMHYYBOZEJFJINT-UHFFFAOYSA-N
MW406.40 g/mol
LogP1.72
Rot. Bonds3

About 1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one

1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one (PubChem CID 3240181) has the molecular formula C21H18N4O5 and a molecular weight of 406.40 g/mol. Its IUPAC name is 1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one.

Molecular Properties

Compound Name1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one
PubChem CID3240181
Molecular FormulaC21H18N4O5
Molecular Weight406.40 g/mol
Exact Mass406.13
IUPAC Name1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one
SMILESO=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H18N4O5/c26-18(23-7-9-24(10-8-23)20(27)17-6-3-11-29-17)13-25-19-14-4-1-2-5-16(14)30-21(28)15(19)12-22-25/h1-6,11-12H,7-10,13H2
InChIKeyMHYYBOZEJFJINT-UHFFFAOYSA-N
XLogP1.72
TPSA101.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 127034069
N-{2-[4-(2-Fluorophenyl)piperazin-1-YL]ethyl}-2-{4-oxo-1H,4H-chromeno[4,3-C]pyrazol-1-YL}acetamide
CID 5309292
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 5309822
1-[2-[4-(3-Methoxyphenyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one
CID 16009565
Furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 127034068
[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2367657
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide
CID 5307131
2-{8-Methyl-4-oxo-1H,4H-chromeno[4,3-C]pyrazol-1-YL}-N-[3-(propan-2-yloxy)propyl]acetamide
CID 5307174
N-(3-ethoxypropyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 5307334
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cyclohexyl-N-(furan-2-ylmethyl)acetamide
CID 5307406
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone
CID 5308216
N-cyclohexyl-N-(furan-2-ylmethyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 5308508

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one?
The IUPAC name of 1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one (CID 3240181) is 1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one.
What is the SMILES notation for 1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one?
The canonical SMILES for 1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one is O=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one?
The InChIKey is MHYYBOZEJFJINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O5/c26-18(23-7-9-24(10-8-23)20(27)17-6-3-11-29-17)13-25-19-14-4-1-2-5-16(14)30-21(28)15(19)12-22-25/h1-6,11-12H,7-10,13H2.
What are the key properties of 1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one?
1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one has a molecular weight of 406.40 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one is sourced from PubChem (CID 3240181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).