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

C20H21N5O4 — CID 1053696

IUPAC(4-ethylpiperazin-1-yl)-[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazol-5-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(-c3ccco3)nn2-c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C20H21N5O4/c1-2-22-9-11-23(12-10-22)20(26)18-14-17(19-4-3-13-29-19)21-24(18)15-5-7-16(8-6-15)25(27)28/h3-8,13-14H,2,9-12H2,1H3
InChIKeyZNSPFAVGXHNECU-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.82
Rot. Bonds5

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

(4-ethylpiperazin-1-yl)-[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazol-5-yl]methanone (PubChem CID 1053696) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazol-5-yl]methanone
PubChem CID1053696
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name(4-ethylpiperazin-1-yl)-[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazol-5-yl]methanone
SMILESCCN1CCN(C(=O)c2cc(-c3ccco3)nn2-c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C20H21N5O4/c1-2-22-9-11-23(12-10-22)20(26)18-14-17(19-4-3-13-29-19)21-24(18)15-5-7-16(8-6-15)25(27)28/h3-8,13-14H,2,9-12H2,1H3
InChIKeyZNSPFAVGXHNECU-UHFFFAOYSA-N
XLogP2.82
TPSA97.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 3470486
[3-(furan-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 4266210
ethyl 1-[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 3371718
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(furan-2-yl)-1-(3-nitrophenyl)pyrazol-5-yl]methanone
CID 1053929
(4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazol-5-yl]methanone
CID 42758535
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18266915
ethyl 4-[3-(3-methoxyphenyl)-1-(4-nitrophenyl)pyrazole-5-carbonyl]piperazine-1-carboxylate
CID 4642190
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55493046
3-(furan-2-yl)-1-(4-nitrophenyl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
CID 1053683
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 42159681
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559789
[3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 42759317

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazol-5-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazol-5-yl]methanone (CID 1053696) is (4-ethylpiperazin-1-yl)-[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazol-5-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazol-5-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazol-5-yl]methanone is CCN1CCN(C(=O)c2cc(-c3ccco3)nn2-c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazol-5-yl]methanone?
The InChIKey is ZNSPFAVGXHNECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-2-22-9-11-23(12-10-22)20(26)18-14-17(19-4-3-13-29-19)21-24(18)15-5-7-16(8-6-15)25(27)28/h3-8,13-14H,2,9-12H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazol-5-yl]methanone?
(4-ethylpiperazin-1-yl)-[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazol-5-yl]methanone has a molecular weight of 395.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazol-5-yl]methanone is sourced from PubChem (CID 1053696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).