1-cyclopentyl-3-nitropyrazole

C8H11N3O2 — CID 25247748

IUPAC1-cyclopentyl-3-nitropyrazole
SMILESO=[N+]([O-])c1ccn(C2CCCC2)n1
InChIInChI=1S/C8H11N3O2/c12-11(13)8-5-6-10(9-8)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyMMYUAXSDHZVHSA-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.91
Rot. Bonds2

About 1-cyclopentyl-3-nitropyrazole

1-cyclopentyl-3-nitropyrazole (PubChem CID 25247748) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1-cyclopentyl-3-nitropyrazole.

Molecular Properties

Compound Name1-cyclopentyl-3-nitropyrazole
PubChem CID25247748
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name1-cyclopentyl-3-nitropyrazole
SMILESO=[N+]([O-])c1ccn(C2CCCC2)n1
InChIInChI=1S/C8H11N3O2/c12-11(13)8-5-6-10(9-8)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyMMYUAXSDHZVHSA-UHFFFAOYSA-N
XLogP1.91
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.91
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-cyclopentyl-3-nitropyrazole?
The IUPAC name of 1-cyclopentyl-3-nitropyrazole (CID 25247748) is 1-cyclopentyl-3-nitropyrazole.
What is the SMILES notation for 1-cyclopentyl-3-nitropyrazole?
The canonical SMILES for 1-cyclopentyl-3-nitropyrazole is O=[N+]([O-])c1ccn(C2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-3-nitropyrazole?
The InChIKey is MMYUAXSDHZVHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-11(13)8-5-6-10(9-8)7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of 1-cyclopentyl-3-nitropyrazole?
1-cyclopentyl-3-nitropyrazole has a molecular weight of 181.19 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-nitropyrazole is sourced from PubChem (CID 25247748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).