2-(3,5-diphenylpyrazol-1-yl)-5-nitropyridine

C20H14N4O2 — CID 12602752

IUPAC2-(3,5-diphenylpyrazol-1-yl)-5-nitropyridine
SMILESO=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1
InChIInChI=1S/C20H14N4O2/c25-24(26)17-11-12-20(21-14-17)23-19(16-9-5-2-6-10-16)13-18(22-23)15-7-3-1-4-8-15/h1-14H
InChIKeyGFIQWDNCQKUXKU-UHFFFAOYSA-N
MW342.36 g/mol
LogP4.51
Rot. Bonds4

About 2-(3,5-diphenylpyrazol-1-yl)-5-nitropyridine

2-(3,5-diphenylpyrazol-1-yl)-5-nitropyridine (PubChem CID 12602752) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-(3,5-diphenylpyrazol-1-yl)-5-nitropyridine.

Molecular Properties

Compound Name2-(3,5-diphenylpyrazol-1-yl)-5-nitropyridine
PubChem CID12602752
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name2-(3,5-diphenylpyrazol-1-yl)-5-nitropyridine
SMILESO=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1
InChIInChI=1S/C20H14N4O2/c25-24(26)17-11-12-20(21-14-17)23-19(16-9-5-2-6-10-16)13-18(22-23)15-7-3-1-4-8-15/h1-14H
InChIKeyGFIQWDNCQKUXKU-UHFFFAOYSA-N
XLogP4.51
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3,5-diphenylpyrazol-1-yl)-5-nitropyridine?
The IUPAC name of 2-(3,5-diphenylpyrazol-1-yl)-5-nitropyridine (CID 12602752) is 2-(3,5-diphenylpyrazol-1-yl)-5-nitropyridine.
What is the SMILES notation for 2-(3,5-diphenylpyrazol-1-yl)-5-nitropyridine?
The canonical SMILES for 2-(3,5-diphenylpyrazol-1-yl)-5-nitropyridine is O=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1.
What is the InChIKey of 2-(3,5-diphenylpyrazol-1-yl)-5-nitropyridine?
The InChIKey is GFIQWDNCQKUXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c25-24(26)17-11-12-20(21-14-17)23-19(16-9-5-2-6-10-16)13-18(22-23)15-7-3-1-4-8-15/h1-14H.
What are the key properties of 2-(3,5-diphenylpyrazol-1-yl)-5-nitropyridine?
2-(3,5-diphenylpyrazol-1-yl)-5-nitropyridine has a molecular weight of 342.36 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenylpyrazol-1-yl)-5-nitropyridine is sourced from PubChem (CID 12602752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).