[3-(furan-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

C24H20N6O6 — CID 4266210

IUPAC[3-(furan-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C24H20N6O6/c31-24(27-12-10-26(11-13-27)17-6-8-18(9-7-17)29(32)33)22-16-21(23-5-2-14-36-23)25-28(22)19-3-1-4-20(15-19)30(34)35/h1-9,14-16H,10-13H2
InChIKeyMUOJSPSIXZKGQM-UHFFFAOYSA-N
MW488.46 g/mol
LogP3.91
Rot. Bonds6

About [3-(furan-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

[3-(furan-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone (PubChem CID 4266210) has the molecular formula C24H20N6O6 and a molecular weight of 488.46 g/mol. Its IUPAC name is [3-(furan-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(furan-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
PubChem CID4266210
Molecular FormulaC24H20N6O6
Molecular Weight488.46 g/mol
Exact Mass488.14
IUPAC Name[3-(furan-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C24H20N6O6/c31-24(27-12-10-26(11-13-27)17-6-8-18(9-7-17)29(32)33)22-16-21(23-5-2-14-36-23)25-28(22)19-3-1-4-20(15-19)30(34)35/h1-9,14-16H,10-13H2
InChIKeyMUOJSPSIXZKGQM-UHFFFAOYSA-N
XLogP3.91
TPSA140.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-ethylpiperazin-1-yl)-[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazol-5-yl]methanone
CID 1053696
[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 3470486
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(furan-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]methanone
CID 1053929
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18266915
[1-(3,4-dichlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3640244
[3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 3907303
[3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 42759317
[3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4234200
[3-(3-methoxyphenyl)-1-(4-nitrophenyl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3931977
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 42159681
[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3434426
N-cyclohexyl-3-(furan-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 1053894

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(furan-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone (CID 4266210) is [3-(furan-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(furan-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(furan-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone is O=C(c1cc(-c2ccco2)nn1-c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of [3-(furan-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
The InChIKey is MUOJSPSIXZKGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O6/c31-24(27-12-10-26(11-13-27)17-6-8-18(9-7-17)29(32)33)22-16-21(23-5-2-14-36-23)25-28(22)19-3-1-4-20(15-19)30(34)35/h1-9,14-16H,10-13H2.
What are the key properties of [3-(furan-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
[3-(furan-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone has a molecular weight of 488.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 4266210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).