3-(4-nitrophenyl)-1-phenylpyrazole

C15H11N3O2 — CID 12957613

IUPAC3-(4-nitrophenyl)-1-phenylpyrazole
SMILESO=[N+]([O-])c1ccc(-c2ccn(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H11N3O2/c19-18(20)14-8-6-12(7-9-14)15-10-11-17(16-15)13-4-2-1-3-5-13/h1-11H
InChIKeyOASOSAYYSACSBS-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.45
Rot. Bonds3

About 3-(4-nitrophenyl)-1-phenylpyrazole

3-(4-nitrophenyl)-1-phenylpyrazole (PubChem CID 12957613) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-(4-nitrophenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name3-(4-nitrophenyl)-1-phenylpyrazole
PubChem CID12957613
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name3-(4-nitrophenyl)-1-phenylpyrazole
SMILESO=[N+]([O-])c1ccc(-c2ccn(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H11N3O2/c19-18(20)14-8-6-12(7-9-14)15-10-11-17(16-15)13-4-2-1-3-5-13/h1-11H
InChIKeyOASOSAYYSACSBS-UHFFFAOYSA-N
XLogP3.45
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.45
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 3-(4-nitrophenyl)-1-phenylpyrazole?
The IUPAC name of 3-(4-nitrophenyl)-1-phenylpyrazole (CID 12957613) is 3-(4-nitrophenyl)-1-phenylpyrazole.
What is the SMILES notation for 3-(4-nitrophenyl)-1-phenylpyrazole?
The canonical SMILES for 3-(4-nitrophenyl)-1-phenylpyrazole is O=[N+]([O-])c1ccc(-c2ccn(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-nitrophenyl)-1-phenylpyrazole?
The InChIKey is OASOSAYYSACSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-18(20)14-8-6-12(7-9-14)15-10-11-17(16-15)13-4-2-1-3-5-13/h1-11H.
What are the key properties of 3-(4-nitrophenyl)-1-phenylpyrazole?
3-(4-nitrophenyl)-1-phenylpyrazole has a molecular weight of 265.27 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrophenyl)-1-phenylpyrazole is sourced from PubChem (CID 12957613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).