1-(3-fluoropropyl)-4-nitropyrazole

C6H8FN3O2 — CID 118262395

IUPAC1-(3-fluoropropyl)-4-nitropyrazole
SMILESO=[N+]([O-])c1cnn(CCCF)c1
InChIInChI=1S/C6H8FN3O2/c7-2-1-3-9-5-6(4-8-9)10(11)12/h4-5H,1-3H2
InChIKeyBGHABZWRIBHWIM-UHFFFAOYSA-N
MW173.15 g/mol
LogP1.15
Rot. Bonds4

About 1-(3-fluoropropyl)-4-nitropyrazole

1-(3-fluoropropyl)-4-nitropyrazole (PubChem CID 118262395) has the molecular formula C6H8FN3O2 and a molecular weight of 173.15 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-nitropyrazole.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-nitropyrazole
PubChem CID118262395
Molecular FormulaC6H8FN3O2
Molecular Weight173.15 g/mol
Exact Mass173.06
IUPAC Name1-(3-fluoropropyl)-4-nitropyrazole
SMILESO=[N+]([O-])c1cnn(CCCF)c1
InChIInChI=1S/C6H8FN3O2/c7-2-1-3-9-5-6(4-8-9)10(11)12/h4-5H,1-3H2
InChIKeyBGHABZWRIBHWIM-UHFFFAOYSA-N
XLogP1.15
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.15
LogP ≤ 51.15
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-(3-fluoropropyl)-4-nitropyrazole?
The IUPAC name of 1-(3-fluoropropyl)-4-nitropyrazole (CID 118262395) is 1-(3-fluoropropyl)-4-nitropyrazole.
What is the SMILES notation for 1-(3-fluoropropyl)-4-nitropyrazole?
The canonical SMILES for 1-(3-fluoropropyl)-4-nitropyrazole is O=[N+]([O-])c1cnn(CCCF)c1.
What is the InChIKey of 1-(3-fluoropropyl)-4-nitropyrazole?
The InChIKey is BGHABZWRIBHWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O2/c7-2-1-3-9-5-6(4-8-9)10(11)12/h4-5H,1-3H2.
What are the key properties of 1-(3-fluoropropyl)-4-nitropyrazole?
1-(3-fluoropropyl)-4-nitropyrazole has a molecular weight of 173.15 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4-nitropyrazole is sourced from PubChem (CID 118262395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).