5-nitro-2-(4-nitro-3,5-diphenylpyrazol-1-yl)pyridine

C20H13N5O4 — CID 12661221

IUPAC5-nitro-2-(4-nitro-3,5-diphenylpyrazol-1-yl)pyridine
SMILESO=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)c([N+](=O)[O-])c2-c2ccccc2)nc1
InChIInChI=1S/C20H13N5O4/c26-24(27)16-11-12-17(21-13-16)23-19(15-9-5-2-6-10-15)20(25(28)29)18(22-23)14-7-3-1-4-8-14/h1-13H
InChIKeyWYZGVLGYKSVMCR-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.42
Rot. Bonds5

About 5-nitro-2-(4-nitro-3,5-diphenylpyrazol-1-yl)pyridine

5-nitro-2-(4-nitro-3,5-diphenylpyrazol-1-yl)pyridine (PubChem CID 12661221) has the molecular formula C20H13N5O4 and a molecular weight of 387.36 g/mol. Its IUPAC name is 5-nitro-2-(4-nitro-3,5-diphenylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name5-nitro-2-(4-nitro-3,5-diphenylpyrazol-1-yl)pyridine
PubChem CID12661221
Molecular FormulaC20H13N5O4
Molecular Weight387.36 g/mol
Exact Mass387.10
IUPAC Name5-nitro-2-(4-nitro-3,5-diphenylpyrazol-1-yl)pyridine
SMILESO=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)c([N+](=O)[O-])c2-c2ccccc2)nc1
InChIInChI=1S/C20H13N5O4/c26-24(27)16-11-12-17(21-13-16)23-19(15-9-5-2-6-10-15)20(25(28)29)18(22-23)14-7-3-1-4-8-14/h1-13H
InChIKeyWYZGVLGYKSVMCR-UHFFFAOYSA-N
XLogP4.42
TPSA116.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Related Compounds

2-(3,5-diphenylpyrazol-1-yl)-5-nitropyridine
CID 12602752
1-(4-nitrophenyl)-3,4,5-triphenylpyrazole
CID 59515058
5-nitro-2-(4-phenyltriazol-1-yl)pyridine
CID 57341266
3,5-dinitro-2-phenylpyridine
CID 14948543
1-(5-nitro-2-pyridinyl)pyridin-2-one
CID 4556084
1-methyl-4-nitro-5-phenylpyrazol-3-amine
CID 83821863
5-nitro-2-(4-nitropyrazol-1-yl)pyridine
CID 12602756
1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole
CID 53243899
4-amino-2-(4-nitrophenyl)-5-phenylpyrazole-3-carbonitrile
CID 102139340
1-(3-methylphenyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 27306784
1-benzyl-4-(5-nitro-2-pyridinyl)piperazin-2-one
CID 57461799
3-iodo-1-(5-nitro-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 71256187

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(4-nitro-3,5-diphenylpyrazol-1-yl)pyridine?
The IUPAC name of 5-nitro-2-(4-nitro-3,5-diphenylpyrazol-1-yl)pyridine (CID 12661221) is 5-nitro-2-(4-nitro-3,5-diphenylpyrazol-1-yl)pyridine.
What is the SMILES notation for 5-nitro-2-(4-nitro-3,5-diphenylpyrazol-1-yl)pyridine?
The canonical SMILES for 5-nitro-2-(4-nitro-3,5-diphenylpyrazol-1-yl)pyridine is O=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)c([N+](=O)[O-])c2-c2ccccc2)nc1.
What is the InChIKey of 5-nitro-2-(4-nitro-3,5-diphenylpyrazol-1-yl)pyridine?
The InChIKey is WYZGVLGYKSVMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O4/c26-24(27)16-11-12-17(21-13-16)23-19(15-9-5-2-6-10-15)20(25(28)29)18(22-23)14-7-3-1-4-8-14/h1-13H.
What are the key properties of 5-nitro-2-(4-nitro-3,5-diphenylpyrazol-1-yl)pyridine?
5-nitro-2-(4-nitro-3,5-diphenylpyrazol-1-yl)pyridine has a molecular weight of 387.36 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(4-nitro-3,5-diphenylpyrazol-1-yl)pyridine is sourced from PubChem (CID 12661221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).