2-(4-nitrophenyl)-3,5-diphenyl-3,4-dihydropyrazole

C21H17N3O2 — CID 2827281

IUPAC2-(4-nitrophenyl)-3,5-diphenyl-3,4-dihydropyrazole
SMILESO=[N+]([O-])c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C21H17N3O2/c25-24(26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)16-7-3-1-4-8-16/h1-14,21H,15H2
InChIKeyUJRZNOKABKPMIK-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.95
Rot. Bonds4

About 2-(4-nitrophenyl)-3,5-diphenyl-3,4-dihydropyrazole

2-(4-nitrophenyl)-3,5-diphenyl-3,4-dihydropyrazole (PubChem CID 2827281) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-3,5-diphenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(4-nitrophenyl)-3,5-diphenyl-3,4-dihydropyrazole
PubChem CID2827281
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name2-(4-nitrophenyl)-3,5-diphenyl-3,4-dihydropyrazole
SMILESO=[N+]([O-])c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1
InChIInChI=1S/C21H17N3O2/c25-24(26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)16-7-3-1-4-8-16/h1-14,21H,15H2
InChIKeyUJRZNOKABKPMIK-UHFFFAOYSA-N
XLogP4.95
TPSA58.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(4-nitrophenyl)-3,5-diphenyl-3,4-dihydropyrazole?
The IUPAC name of 2-(4-nitrophenyl)-3,5-diphenyl-3,4-dihydropyrazole (CID 2827281) is 2-(4-nitrophenyl)-3,5-diphenyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(4-nitrophenyl)-3,5-diphenyl-3,4-dihydropyrazole?
The canonical SMILES for 2-(4-nitrophenyl)-3,5-diphenyl-3,4-dihydropyrazole is O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1.
What is the InChIKey of 2-(4-nitrophenyl)-3,5-diphenyl-3,4-dihydropyrazole?
The InChIKey is UJRZNOKABKPMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-24(26)19-13-11-18(12-14-19)23-21(17-9-5-2-6-10-17)15-20(22-23)16-7-3-1-4-8-16/h1-14,21H,15H2.
What are the key properties of 2-(4-nitrophenyl)-3,5-diphenyl-3,4-dihydropyrazole?
2-(4-nitrophenyl)-3,5-diphenyl-3,4-dihydropyrazole has a molecular weight of 343.39 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-3,5-diphenyl-3,4-dihydropyrazole is sourced from PubChem (CID 2827281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).