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

C19H15N3O3 — CID 564008

IUPAC3-(furan-2-yl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole
SMILESO=[N+]([O-])c1ccc(C2=NN(c3ccccc3)C(c3ccco3)C2)cc1
InChIInChI=1S/C19H15N3O3/c23-22(24)16-10-8-14(9-11-16)17-13-18(19-7-4-12-25-19)21(20-17)15-5-2-1-3-6-15/h1-12,18H,13H2
InChIKeyDCFSIJLWXJXSQC-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.54
Rot. Bonds4

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

3-(furan-2-yl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 564008) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID564008
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name3-(furan-2-yl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole
SMILESO=[N+]([O-])c1ccc(C2=NN(c3ccccc3)C(c3ccco3)C2)cc1
InChIInChI=1S/C19H15N3O3/c23-22(24)16-10-8-14(9-11-16)17-13-18(19-7-4-12-25-19)21(20-17)15-5-2-1-3-6-15/h1-12,18H,13H2
InChIKeyDCFSIJLWXJXSQC-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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Related Compounds

3-(4-Fluorophenyl)-5-(2-furyl)-1-phenyl-4,5-dihydro-1H-pyrazole
CID 2856224
3-(4-chlorophenyl)-5-(2-furyl)-1-phenyl-4,5-dihydro-1H-pyrazole
CID 2834912
5-(furan-2-yl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole
CID 561651
5-(4-Nitrophenyl)-2-furaldehyde methyl(phenyl)hydrazone
CID 5334025
5-(5-Methyl-2-furyl)-1,3-diphenyl-2-pyrazoline
CID 560996
5-(4-Fluorophenyl)-3-(furan-2-yl)-2-(4-methylphenyl)-3,4-dihydropyrazole
CID 2855982
3-(4-Fluorophenyl)-5-(2-furanyl)-2-phenyl-3,4-dihydropyrazole
CID 3119020
3-(furan-2-yl)-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-2-phenyl-3,4-dihydropyrazole
CID 5750335
3-(2-furyl)-1-{4-nitrophenyl}-5-phenyl-4,5-dihydro-1H-pyrazole
CID 11948839
5-(2-furyl)-3-(2-{4-nitrophenyl}vinyl)-1-phenyl-4,5-dihydro-1H-pyrazole
CID 15945043
4-[2-(4-Cyanophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]benzoic acid
CID 46915786
5-(Furan-2-yl)-2,3-diphenyl-3,4-dihydropyrazole
CID 4737250

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 3-(furan-2-yl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole (CID 564008) is 3-(furan-2-yl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(furan-2-yl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 3-(furan-2-yl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole is O=[N+]([O-])c1ccc(C2=NN(c3ccccc3)C(c3ccco3)C2)cc1.
What is the InChIKey of 3-(furan-2-yl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is DCFSIJLWXJXSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-22(24)16-10-8-14(9-11-16)17-13-18(19-7-4-12-25-19)21(20-17)15-5-2-1-3-6-15/h1-12,18H,13H2.
What are the key properties of 3-(furan-2-yl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole?
3-(furan-2-yl)-5-(4-nitrophenyl)-2-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 3-(furan-2-yl)-5-(4-nitrophenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 564008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).