2-(1-cyclohexyl-4-nitropyrazol-3-yl)pyridine;ethanol

C16H22N4O3 — CID 145176619

IUPAC2-(1-cyclohexyl-4-nitropyrazol-3-yl)pyridine;ethanol
SMILESCCO.O=[N+]([O-])c1cn(C2CCCCC2)nc1-c1ccccn1
InChIInChI=1S/C14H16N4O2.C2H6O/c19-18(20)13-10-17(11-6-2-1-3-7-11)16-14(13)12-8-4-5-9-15-12;1-2-3/h4-5,8-11H,1-3,6-7H2;3H,2H2,1H3
InChIKeyNZFKKFVNPZZVSO-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.36
Rot. Bonds3

About 2-(1-cyclohexyl-4-nitropyrazol-3-yl)pyridine;ethanol

2-(1-cyclohexyl-4-nitropyrazol-3-yl)pyridine;ethanol (PubChem CID 145176619) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-(1-cyclohexyl-4-nitropyrazol-3-yl)pyridine;ethanol.

Molecular Properties

Compound Name2-(1-cyclohexyl-4-nitropyrazol-3-yl)pyridine;ethanol
PubChem CID145176619
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-(1-cyclohexyl-4-nitropyrazol-3-yl)pyridine;ethanol
SMILESCCO.O=[N+]([O-])c1cn(C2CCCCC2)nc1-c1ccccn1
InChIInChI=1S/C14H16N4O2.C2H6O/c19-18(20)13-10-17(11-6-2-1-3-7-11)16-14(13)12-8-4-5-9-15-12;1-2-3/h4-5,8-11H,1-3,6-7H2;3H,2H2,1H3
InChIKeyNZFKKFVNPZZVSO-UHFFFAOYSA-N
XLogP3.36
TPSA94.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
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-(1-cyclohexyl-4-nitropyrazol-3-yl)pyridine;ethanol?
The IUPAC name of 2-(1-cyclohexyl-4-nitropyrazol-3-yl)pyridine;ethanol (CID 145176619) is 2-(1-cyclohexyl-4-nitropyrazol-3-yl)pyridine;ethanol.
What is the SMILES notation for 2-(1-cyclohexyl-4-nitropyrazol-3-yl)pyridine;ethanol?
The canonical SMILES for 2-(1-cyclohexyl-4-nitropyrazol-3-yl)pyridine;ethanol is CCO.O=[N+]([O-])c1cn(C2CCCCC2)nc1-c1ccccn1.
What is the InChIKey of 2-(1-cyclohexyl-4-nitropyrazol-3-yl)pyridine;ethanol?
The InChIKey is NZFKKFVNPZZVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2.C2H6O/c19-18(20)13-10-17(11-6-2-1-3-7-11)16-14(13)12-8-4-5-9-15-12;1-2-3/h4-5,8-11H,1-3,6-7H2;3H,2H2,1H3.
What are the key properties of 2-(1-cyclohexyl-4-nitropyrazol-3-yl)pyridine;ethanol?
2-(1-cyclohexyl-4-nitropyrazol-3-yl)pyridine;ethanol has a molecular weight of 318.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-4-nitropyrazol-3-yl)pyridine;ethanol is sourced from PubChem (CID 145176619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).