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

C21H17N3O2 — CID 174581251

IUPAC5-(4-nitrophenyl)-2-(3-phenylphenyl)-3,4-dihydropyrazole
SMILESO=[N+]([O-])c1ccc(C2=NN(c3cccc(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C21H17N3O2/c25-24(26)19-11-9-17(10-12-19)21-13-14-23(22-21)20-8-4-7-18(15-20)16-5-2-1-3-6-16/h1-12,15H,13-14H2
InChIKeyZRMSJHYUIHGNCG-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.88
Rot. Bonds4

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

5-(4-nitrophenyl)-2-(3-phenylphenyl)-3,4-dihydropyrazole (PubChem CID 174581251) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-(4-nitrophenyl)-2-(3-phenylphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-nitrophenyl)-2-(3-phenylphenyl)-3,4-dihydropyrazole
PubChem CID174581251
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name5-(4-nitrophenyl)-2-(3-phenylphenyl)-3,4-dihydropyrazole
SMILESO=[N+]([O-])c1ccc(C2=NN(c3cccc(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C21H17N3O2/c25-24(26)19-11-9-17(10-12-19)21-13-14-23(22-21)20-8-4-7-18(15-20)16-5-2-1-3-6-16/h1-12,15H,13-14H2
InChIKeyZRMSJHYUIHGNCG-UHFFFAOYSA-N
XLogP4.88
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 ≤ 54.88
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 5-(4-nitrophenyl)-2-(3-phenylphenyl)-3,4-dihydropyrazole?
The IUPAC name of 5-(4-nitrophenyl)-2-(3-phenylphenyl)-3,4-dihydropyrazole (CID 174581251) is 5-(4-nitrophenyl)-2-(3-phenylphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-nitrophenyl)-2-(3-phenylphenyl)-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-nitrophenyl)-2-(3-phenylphenyl)-3,4-dihydropyrazole is O=[N+]([O-])c1ccc(C2=NN(c3cccc(-c4ccccc4)c3)CC2)cc1.
What is the InChIKey of 5-(4-nitrophenyl)-2-(3-phenylphenyl)-3,4-dihydropyrazole?
The InChIKey is ZRMSJHYUIHGNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-24(26)19-11-9-17(10-12-19)21-13-14-23(22-21)20-8-4-7-18(15-20)16-5-2-1-3-6-16/h1-12,15H,13-14H2.
What are the key properties of 5-(4-nitrophenyl)-2-(3-phenylphenyl)-3,4-dihydropyrazole?
5-(4-nitrophenyl)-2-(3-phenylphenyl)-3,4-dihydropyrazole has a molecular weight of 343.39 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenyl)-2-(3-phenylphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 174581251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).