1-cyclohexyl-4-nitropyrazole

C9H13N3O2 — CID 13469825

IUPAC1-cyclohexyl-4-nitropyrazole
SMILESO=[N+]([O-])c1cnn(C2CCCCC2)c1
InChIInChI=1S/C9H13N3O2/c13-12(14)9-6-10-11(7-9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyJKGGPABUZVDTIY-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.30
Rot. Bonds2

About 1-cyclohexyl-4-nitropyrazole

1-cyclohexyl-4-nitropyrazole (PubChem CID 13469825) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-cyclohexyl-4-nitropyrazole.

Molecular Properties

Compound Name1-cyclohexyl-4-nitropyrazole
PubChem CID13469825
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-cyclohexyl-4-nitropyrazole
SMILESO=[N+]([O-])c1cnn(C2CCCCC2)c1
InChIInChI=1S/C9H13N3O2/c13-12(14)9-6-10-11(7-9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyJKGGPABUZVDTIY-UHFFFAOYSA-N
XLogP2.30
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-cyclohexyl-4-nitropyrazole?
The IUPAC name of 1-cyclohexyl-4-nitropyrazole (CID 13469825) is 1-cyclohexyl-4-nitropyrazole.
What is the SMILES notation for 1-cyclohexyl-4-nitropyrazole?
The canonical SMILES for 1-cyclohexyl-4-nitropyrazole is O=[N+]([O-])c1cnn(C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-4-nitropyrazole?
The InChIKey is JKGGPABUZVDTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-12(14)9-6-10-11(7-9)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 1-cyclohexyl-4-nitropyrazole?
1-cyclohexyl-4-nitropyrazole has a molecular weight of 195.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-nitropyrazole is sourced from PubChem (CID 13469825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).