5-(furan-2-yl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole

C19H15N3O3 — CID 11948839

IUPAC5-(furan-2-yl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole
SMILESO=[N+]([O-])c1ccc(N2N=C(c3ccco3)CC2c2ccccc2)cc1
InChIInChI=1S/C19H15N3O3/c23-22(24)16-10-8-15(9-11-16)21-18(14-5-2-1-3-6-14)13-17(20-21)19-7-4-12-25-19/h1-12,18H,13H2
InChIKeyZYVHICVEXRPVAG-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.54
Rot. Bonds4

About 5-(furan-2-yl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole

5-(furan-2-yl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole (PubChem CID 11948839) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(furan-2-yl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole
PubChem CID11948839
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name5-(furan-2-yl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole
SMILESO=[N+]([O-])c1ccc(N2N=C(c3ccco3)CC2c2ccccc2)cc1
InChIInChI=1S/C19H15N3O3/c23-22(24)16-10-8-15(9-11-16)21-18(14-5-2-1-3-6-14)13-17(20-21)19-7-4-12-25-19/h1-12,18H,13H2
InChIKeyZYVHICVEXRPVAG-UHFFFAOYSA-N
XLogP4.54
TPSA71.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(furan-2-yl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole (CID 11948839) is 5-(furan-2-yl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(furan-2-yl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(furan-2-yl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole is O=[N+]([O-])c1ccc(N2N=C(c3ccco3)CC2c2ccccc2)cc1.
What is the InChIKey of 5-(furan-2-yl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole?
The InChIKey is ZYVHICVEXRPVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-22(24)16-10-8-15(9-11-16)21-18(14-5-2-1-3-6-14)13-17(20-21)19-7-4-12-25-19/h1-12,18H,13H2.
What are the key properties of 5-(furan-2-yl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole?
5-(furan-2-yl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole has a molecular weight of 333.35 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 11948839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).