2-(5-methyl-2-phenylpyrazol-3-yl)oxy-3-nitropyridine

C15H12N4O3 — CID 59830873

IUPAC2-(5-methyl-2-phenylpyrazol-3-yl)oxy-3-nitropyridine
SMILESCc1cc(Oc2ncccc2[N+](=O)[O-])n(-c2ccccc2)n1
InChIInChI=1S/C15H12N4O3/c1-11-10-14(18(17-11)12-6-3-2-4-7-12)22-15-13(19(20)21)8-5-9-16-15/h2-10H,1H3
InChIKeyNDZCLRNQLLLOKW-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.28
Rot. Bonds4

About 2-(5-methyl-2-phenylpyrazol-3-yl)oxy-3-nitropyridine

2-(5-methyl-2-phenylpyrazol-3-yl)oxy-3-nitropyridine (PubChem CID 59830873) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-(5-methyl-2-phenylpyrazol-3-yl)oxy-3-nitropyridine.

Molecular Properties

Compound Name2-(5-methyl-2-phenylpyrazol-3-yl)oxy-3-nitropyridine
PubChem CID59830873
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name2-(5-methyl-2-phenylpyrazol-3-yl)oxy-3-nitropyridine
SMILESCc1cc(Oc2ncccc2[N+](=O)[O-])n(-c2ccccc2)n1
InChIInChI=1S/C15H12N4O3/c1-11-10-14(18(17-11)12-6-3-2-4-7-12)22-15-13(19(20)21)8-5-9-16-15/h2-10H,1H3
InChIKeyNDZCLRNQLLLOKW-UHFFFAOYSA-N
XLogP3.28
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(5-methyl-2-phenylpyrazol-3-yl)oxy-3-nitropyridine?
The IUPAC name of 2-(5-methyl-2-phenylpyrazol-3-yl)oxy-3-nitropyridine (CID 59830873) is 2-(5-methyl-2-phenylpyrazol-3-yl)oxy-3-nitropyridine.
What is the SMILES notation for 2-(5-methyl-2-phenylpyrazol-3-yl)oxy-3-nitropyridine?
The canonical SMILES for 2-(5-methyl-2-phenylpyrazol-3-yl)oxy-3-nitropyridine is Cc1cc(Oc2ncccc2[N+](=O)[O-])n(-c2ccccc2)n1.
What is the InChIKey of 2-(5-methyl-2-phenylpyrazol-3-yl)oxy-3-nitropyridine?
The InChIKey is NDZCLRNQLLLOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-11-10-14(18(17-11)12-6-3-2-4-7-12)22-15-13(19(20)21)8-5-9-16-15/h2-10H,1H3.
What are the key properties of 2-(5-methyl-2-phenylpyrazol-3-yl)oxy-3-nitropyridine?
2-(5-methyl-2-phenylpyrazol-3-yl)oxy-3-nitropyridine has a molecular weight of 296.29 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-phenylpyrazol-3-yl)oxy-3-nitropyridine is sourced from PubChem (CID 59830873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).