1-(3-fluorooxan-4-yl)-4-nitropyrazole

C8H10FN3O3 — CID 118280654

IUPAC1-(3-fluorooxan-4-yl)-4-nitropyrazole
SMILESO=[N+]([O-])c1cnn(C2CCOCC2F)c1
InChIInChI=1S/C8H10FN3O3/c9-7-5-15-2-1-8(7)11-4-6(3-10-11)12(13)14/h3-4,7-8H,1-2,5H2
InChIKeyAEWUNVWGFWYRGV-UHFFFAOYSA-N
MW215.18 g/mol
LogP1.09
Rot. Bonds2

About 1-(3-fluorooxan-4-yl)-4-nitropyrazole

1-(3-fluorooxan-4-yl)-4-nitropyrazole (PubChem CID 118280654) has the molecular formula C8H10FN3O3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 1-(3-fluorooxan-4-yl)-4-nitropyrazole.

Molecular Properties

Compound Name1-(3-fluorooxan-4-yl)-4-nitropyrazole
PubChem CID118280654
Molecular FormulaC8H10FN3O3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name1-(3-fluorooxan-4-yl)-4-nitropyrazole
SMILESO=[N+]([O-])c1cnn(C2CCOCC2F)c1
InChIInChI=1S/C8H10FN3O3/c9-7-5-15-2-1-8(7)11-4-6(3-10-11)12(13)14/h3-4,7-8H,1-2,5H2
InChIKeyAEWUNVWGFWYRGV-UHFFFAOYSA-N
XLogP1.09
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 51.09
H-Bond Donors ≤ 50
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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Related Compounds

1-(2-fluoroethyl)-4-nitro-1H-pyrazole
CID 58464989
1-(oxan-4-yl)-1H-pyrazol-4-amine hydrochloride
CID 90281334
4-Nitro-1-(oxan-2-YL)pyrazole
CID 90010670
1-(Tetrahydro-2H-pyran-4-YL)-1H-pyrazol-4-amine
CID 51063703
1-(4-Fluorobutyl)-4-nitro-1H-pyrazole
CID 56604404
1-(5-Fluoro-hexyl)-4-nitro-1H-pyrazole
CID 66928493
1-(3-Fluorooxan-4-yl)-3-methyl-4-nitropyrazole
CID 90010482
1-(2-fluoroethyl)-4-(4-nitro-1H-pyrazol-1-yl)piperidine
CID 117908424
1-(3-fluoropropyl)-4-nitro-1H-pyrazole
CID 118262395
1-(3-Fluorooxan-4-yl)-5-methyl-4-nitropyrazole
CID 118280682
3-Fluoro-1-methyl-4-(4-nitro-1h-pyrazol-1-yl)piperidine
CID 118288740
5-Chloro-1-(3-fluorooxan-4-yl)-4-nitropyrazole
CID 118288836

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorooxan-4-yl)-4-nitropyrazole?
The IUPAC name of 1-(3-fluorooxan-4-yl)-4-nitropyrazole (CID 118280654) is 1-(3-fluorooxan-4-yl)-4-nitropyrazole.
What is the SMILES notation for 1-(3-fluorooxan-4-yl)-4-nitropyrazole?
The canonical SMILES for 1-(3-fluorooxan-4-yl)-4-nitropyrazole is O=[N+]([O-])c1cnn(C2CCOCC2F)c1.
What is the InChIKey of 1-(3-fluorooxan-4-yl)-4-nitropyrazole?
The InChIKey is AEWUNVWGFWYRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O3/c9-7-5-15-2-1-8(7)11-4-6(3-10-11)12(13)14/h3-4,7-8H,1-2,5H2.
What are the key properties of 1-(3-fluorooxan-4-yl)-4-nitropyrazole?
1-(3-fluorooxan-4-yl)-4-nitropyrazole has a molecular weight of 215.18 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorooxan-4-yl)-4-nitropyrazole is sourced from PubChem (CID 118280654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).