(3S)-3-(4-nitrophenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole

C23H18N4O4 — CID 2316253

IUPAC(3S)-3-(4-nitrophenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole
SMILESO=[N+]([O-])c1ccc(/C=C/C2=C[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccccc3)N2)cc1
InChIInChI=1S/C23H18N4O4/c28-26(29)21-12-7-17(8-13-21)6-11-19-16-23(18-9-14-22(15-10-18)27(30)31)25(24-19)20-4-2-1-3-5-20/h1-16,23-24H/b11-6+/t23-/m0/s1
InChIKeyWJNBEVAMJUAHRT-VMMLISQSSA-N
MW414.42 g/mol
LogP5.17
Rot. Bonds6

About (3S)-3-(4-nitrophenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole

(3S)-3-(4-nitrophenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole (PubChem CID 2316253) has the molecular formula C23H18N4O4 and a molecular weight of 414.42 g/mol. Its IUPAC name is (3S)-3-(4-nitrophenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole.

Molecular Properties

Compound Name(3S)-3-(4-nitrophenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole
PubChem CID2316253
Molecular FormulaC23H18N4O4
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC Name(3S)-3-(4-nitrophenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole
SMILESO=[N+]([O-])c1ccc(/C=C/C2=C[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccccc3)N2)cc1
InChIInChI=1S/C23H18N4O4/c28-26(29)21-12-7-17(8-13-21)6-11-19-16-23(18-9-14-22(15-10-18)27(30)31)25(24-19)20-4-2-1-3-5-20/h1-16,23-24H/b11-6+/t23-/m0/s1
InChIKeyWJNBEVAMJUAHRT-VMMLISQSSA-N
XLogP5.17
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.42
LogP ≤ 55.17
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'}

Analyze (3S)-3-(4-nitrophenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-nitro-N-[[4-[3-phenyl-5-(2-phenylethenyl)-1,3-dihydropyrazol-2-yl]phenyl]methylideneamino]benzamide
CID 4518559
3-(furan-2-yl)-5-[2-(5-nitrofuran-2-yl)ethenyl]-2-phenyl-1,3-dihydropyrazole
CID 4686129
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]benzene
CID 122387900
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene
CID 122387898
9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene
CID 15074034
5-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-2-(4-nitrophenyl)-3-phenyl-1,3-dihydropyrazole
CID 67499289
1-nitro-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
CID 6258529
[(E)-3-(4-nitrophenyl)prop-2-enyl]-triphenylphosphanium
CID 19914868
4-hydroxy-2-(4-nitrophenyl)-1-phenyl-3-(3-phenylprop-2-enoyl)-2H-pyrrol-5-one
CID 3555035
6-(4-nitrophenyl)-2,4-diphenyl-1,2,4,5-tetrazinan-3-one
CID 10384845
6-(4-nitrophenyl)-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-2,4-dione
CID 13197683

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-nitrophenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole?
The IUPAC name of (3S)-3-(4-nitrophenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole (CID 2316253) is (3S)-3-(4-nitrophenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole.
What is the SMILES notation for (3S)-3-(4-nitrophenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole?
The canonical SMILES for (3S)-3-(4-nitrophenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole is O=[N+]([O-])c1ccc(/C=C/C2=C[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccccc3)N2)cc1.
What is the InChIKey of (3S)-3-(4-nitrophenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole?
The InChIKey is WJNBEVAMJUAHRT-VMMLISQSSA-N. The full InChI is InChI=1S/C23H18N4O4/c28-26(29)21-12-7-17(8-13-21)6-11-19-16-23(18-9-14-22(15-10-18)27(30)31)25(24-19)20-4-2-1-3-5-20/h1-16,23-24H/b11-6+/t23-/m0/s1.
What are the key properties of (3S)-3-(4-nitrophenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole?
(3S)-3-(4-nitrophenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole has a molecular weight of 414.42 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-nitrophenyl)-5-[(E)-2-(4-nitrophenyl)ethenyl]-2-phenyl-1,3-dihydropyrazole is sourced from PubChem (CID 2316253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).