3-(furan-2-yl)-5-[2-(5-nitrofuran-2-yl)ethenyl]-2-phenyl-1,3-dihydropyrazole

C19H15N3O4 — CID 4686129

IUPAC3-(furan-2-yl)-5-[2-(5-nitrofuran-2-yl)ethenyl]-2-phenyl-1,3-dihydropyrazole
SMILESO=[N+]([O-])c1ccc(C=CC2=CC(c3ccco3)N(c3ccccc3)N2)o1
InChIInChI=1S/C19H15N3O4/c23-22(24)19-11-10-16(26-19)9-8-14-13-17(18-7-4-12-25-18)21(20-14)15-5-2-1-3-6-15/h1-13,17,20H
InChIKeyQBPWJVVOPNOBFS-UHFFFAOYSA-N
MW349.35 g/mol
LogP4.44
Rot. Bonds5

About 3-(furan-2-yl)-5-[2-(5-nitrofuran-2-yl)ethenyl]-2-phenyl-1,3-dihydropyrazole

3-(furan-2-yl)-5-[2-(5-nitrofuran-2-yl)ethenyl]-2-phenyl-1,3-dihydropyrazole (PubChem CID 4686129) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[2-(5-nitrofuran-2-yl)ethenyl]-2-phenyl-1,3-dihydropyrazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[2-(5-nitrofuran-2-yl)ethenyl]-2-phenyl-1,3-dihydropyrazole
PubChem CID4686129
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name3-(furan-2-yl)-5-[2-(5-nitrofuran-2-yl)ethenyl]-2-phenyl-1,3-dihydropyrazole
SMILESO=[N+]([O-])c1ccc(C=CC2=CC(c3ccco3)N(c3ccccc3)N2)o1
InChIInChI=1S/C19H15N3O4/c23-22(24)19-11-10-16(26-19)9-8-14-13-17(18-7-4-12-25-18)21(20-14)15-5-2-1-3-6-15/h1-13,17,20H
InChIKeyQBPWJVVOPNOBFS-UHFFFAOYSA-N
XLogP4.44
TPSA84.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 3-(furan-2-yl)-5-[2-(5-nitrofuran-2-yl)ethenyl]-2-phenyl-1,3-dihydropyrazole?
The IUPAC name of 3-(furan-2-yl)-5-[2-(5-nitrofuran-2-yl)ethenyl]-2-phenyl-1,3-dihydropyrazole (CID 4686129) is 3-(furan-2-yl)-5-[2-(5-nitrofuran-2-yl)ethenyl]-2-phenyl-1,3-dihydropyrazole.
What is the SMILES notation for 3-(furan-2-yl)-5-[2-(5-nitrofuran-2-yl)ethenyl]-2-phenyl-1,3-dihydropyrazole?
The canonical SMILES for 3-(furan-2-yl)-5-[2-(5-nitrofuran-2-yl)ethenyl]-2-phenyl-1,3-dihydropyrazole is O=[N+]([O-])c1ccc(C=CC2=CC(c3ccco3)N(c3ccccc3)N2)o1.
What is the InChIKey of 3-(furan-2-yl)-5-[2-(5-nitrofuran-2-yl)ethenyl]-2-phenyl-1,3-dihydropyrazole?
The InChIKey is QBPWJVVOPNOBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-22(24)19-11-10-16(26-19)9-8-14-13-17(18-7-4-12-25-18)21(20-14)15-5-2-1-3-6-15/h1-13,17,20H.
What are the key properties of 3-(furan-2-yl)-5-[2-(5-nitrofuran-2-yl)ethenyl]-2-phenyl-1,3-dihydropyrazole?
3-(furan-2-yl)-5-[2-(5-nitrofuran-2-yl)ethenyl]-2-phenyl-1,3-dihydropyrazole has a molecular weight of 349.35 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[2-(5-nitrofuran-2-yl)ethenyl]-2-phenyl-1,3-dihydropyrazole is sourced from PubChem (CID 4686129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).