2-[5-(2-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyridine

C14H12N4O2 — CID 10754352

IUPAC2-[5-(2-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyridine
SMILESO=[N+]([O-])c1ccccc1C1CC(c2ccccn2)=NN1
InChIInChI=1S/C14H12N4O2/c19-18(20)14-7-2-1-5-10(14)12-9-13(17-16-12)11-6-3-4-8-15-11/h1-8,12,16H,9H2
InChIKeyAAPUQHHCFHGXKO-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.43
Rot. Bonds3

About 2-[5-(2-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyridine

2-[5-(2-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyridine (PubChem CID 10754352) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[5-(2-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[5-(2-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyridine
PubChem CID10754352
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name2-[5-(2-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyridine
SMILESO=[N+]([O-])c1ccccc1C1CC(c2ccccn2)=NN1
InChIInChI=1S/C14H12N4O2/c19-18(20)14-7-2-1-5-10(14)12-9-13(17-16-12)11-6-3-4-8-15-11/h1-8,12,16H,9H2
InChIKeyAAPUQHHCFHGXKO-UHFFFAOYSA-N
XLogP2.43
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
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-[5-(2-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 2-[5-(2-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyridine (CID 10754352) is 2-[5-(2-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-[5-(2-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 2-[5-(2-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyridine is O=[N+]([O-])c1ccccc1C1CC(c2ccccn2)=NN1.
What is the InChIKey of 2-[5-(2-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyridine?
The InChIKey is AAPUQHHCFHGXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c19-18(20)14-7-2-1-5-10(14)12-9-13(17-16-12)11-6-3-4-8-15-11/h1-8,12,16H,9H2.
What are the key properties of 2-[5-(2-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyridine?
2-[5-(2-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyridine has a molecular weight of 268.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-nitrophenyl)-4,5-dihydro-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 10754352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).