[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate

C27H24N4O5 — CID 2367657

IUPAC[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
SMILESO=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C27H24N4O5/c32-24(29-13-15-30(16-14-29)26(33)23-12-7-17-35-23)19-36-27(34)22-18-31(21-10-5-2-6-11-21)28-25(22)20-8-3-1-4-9-20/h1-12,17-18H,13-16,19H2
InChIKeyZUTAISMUPDIEPE-UHFFFAOYSA-N
MW484.51 g/mol
LogP3.27
Rot. Bonds6

About [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate (PubChem CID 2367657) has the molecular formula C27H24N4O5 and a molecular weight of 484.51 g/mol. Its IUPAC name is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
PubChem CID2367657
Molecular FormulaC27H24N4O5
Molecular Weight484.51 g/mol
Exact Mass484.17
IUPAC Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
SMILESO=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C27H24N4O5/c32-24(29-13-15-30(16-14-29)26(33)23-12-7-17-35-23)19-36-27(34)22-18-31(21-10-5-2-6-11-21)28-25(22)20-8-3-1-4-9-20/h1-12,17-18H,13-16,19H2
InChIKeyZUTAISMUPDIEPE-UHFFFAOYSA-N
XLogP3.27
TPSA97.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Furan-2-carboxamide deriv., 8
CID 44236895
1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079489
N-benzyl-N-{[3-(5-methyl-2-furyl)-1-phenyl-1H-pyrazol-4-yl]methyl}-2-furamide
CID 1288057
3-[4-(Morpholine-4-carbonyl)-1-phenylpyrazol-3-yl]chromen-2-one
CID 1288593
3-(Furan-2-ylmethyl)-2-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-1,3-thiazolidin-4-one
CID 3236880
1-{2-[4-(2-furoyl)piperazin-1-yl]-2-oxoethyl}chromeno[4,3-c]pyrazol-4(1H)-one
CID 3240181
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
N-[2-(Dimethylamino)ethyl]-N-[(furan-2-YL)methyl]-2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-C]pyrazol-1-YL}acetamide
CID 9550480
N'-[(E)-(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]furan-2-carbohydrazide
CID 9558477
N-butyl-N-(furan-2-ylmethyl)-2-(8-methyl-4-oxochromeno[4,3-c]pyrazol-1-yl)acetamide
CID 11957171

Frequently Asked Questions

What is the IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate?
The IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate (CID 2367657) is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate.
What is the SMILES notation for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate?
The canonical SMILES for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate is O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate?
The InChIKey is ZUTAISMUPDIEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O5/c32-24(29-13-15-30(16-14-29)26(33)23-12-7-17-35-23)19-36-27(34)22-18-31(21-10-5-2-6-11-21)28-25(22)20-8-3-1-4-9-20/h1-12,17-18H,13-16,19H2.
What are the key properties of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate?
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate has a molecular weight of 484.51 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate is sourced from PubChem (CID 2367657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).