5-(4-nitrophenyl)-3-phenyl-1H-pyrazole

C15H11N3O2 — CID 4601481

IUPAC5-(4-nitrophenyl)-3-phenyl-1H-pyrazole
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C15H11N3O2/c19-18(20)13-8-6-12(7-9-13)15-10-14(16-17-15)11-4-2-1-3-5-11/h1-10H,(H,16,17)
InChIKeyKPLRDWVOGANZAD-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.65
Rot. Bonds3

About 5-(4-nitrophenyl)-3-phenyl-1H-pyrazole

5-(4-nitrophenyl)-3-phenyl-1H-pyrazole (PubChem CID 4601481) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-(4-nitrophenyl)-3-phenyl-1H-pyrazole.

Molecular Properties

Compound Name5-(4-nitrophenyl)-3-phenyl-1H-pyrazole
PubChem CID4601481
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name5-(4-nitrophenyl)-3-phenyl-1H-pyrazole
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C15H11N3O2/c19-18(20)13-8-6-12(7-9-13)15-10-14(16-17-15)11-4-2-1-3-5-11/h1-10H,(H,16,17)
InChIKeyKPLRDWVOGANZAD-UHFFFAOYSA-N
XLogP3.65
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-3-phenyl-1H-pyrazole?
The IUPAC name of 5-(4-nitrophenyl)-3-phenyl-1H-pyrazole (CID 4601481) is 5-(4-nitrophenyl)-3-phenyl-1H-pyrazole.
What is the SMILES notation for 5-(4-nitrophenyl)-3-phenyl-1H-pyrazole?
The canonical SMILES for 5-(4-nitrophenyl)-3-phenyl-1H-pyrazole is O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1.
What is the InChIKey of 5-(4-nitrophenyl)-3-phenyl-1H-pyrazole?
The InChIKey is KPLRDWVOGANZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-18(20)13-8-6-12(7-9-13)15-10-14(16-17-15)11-4-2-1-3-5-11/h1-10H,(H,16,17).
What are the key properties of 5-(4-nitrophenyl)-3-phenyl-1H-pyrazole?
5-(4-nitrophenyl)-3-phenyl-1H-pyrazole has a molecular weight of 265.27 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenyl)-3-phenyl-1H-pyrazole is sourced from PubChem (CID 4601481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).