3-cyclopropyloxy-4-nitro-1-(oxetan-3-yl)pyrazole

C9H11N3O4 — CID 166528210

IUPAC3-cyclopropyloxy-4-nitro-1-(oxetan-3-yl)pyrazole
SMILESO=[N+]([O-])c1cn(C2COC2)nc1OC1CC1
InChIInChI=1S/C9H11N3O4/c13-12(14)8-3-11(6-4-15-5-6)10-9(8)16-7-1-2-7/h3,6-7H,1-2,4-5H2
InChIKeyGHRRHHGSKJHMRU-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.90
Rot. Bonds4

About 3-cyclopropyloxy-4-nitro-1-(oxetan-3-yl)pyrazole

3-cyclopropyloxy-4-nitro-1-(oxetan-3-yl)pyrazole (PubChem CID 166528210) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 3-cyclopropyloxy-4-nitro-1-(oxetan-3-yl)pyrazole.

Molecular Properties

Compound Name3-cyclopropyloxy-4-nitro-1-(oxetan-3-yl)pyrazole
PubChem CID166528210
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name3-cyclopropyloxy-4-nitro-1-(oxetan-3-yl)pyrazole
SMILESO=[N+]([O-])c1cn(C2COC2)nc1OC1CC1
InChIInChI=1S/C9H11N3O4/c13-12(14)8-3-11(6-4-15-5-6)10-9(8)16-7-1-2-7/h3,6-7H,1-2,4-5H2
InChIKeyGHRRHHGSKJHMRU-UHFFFAOYSA-N
XLogP0.90
TPSA79.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.90
H-Bond Donors ≤ 50
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 3-cyclopropyloxy-4-nitro-1-(oxetan-3-yl)pyrazole?
The IUPAC name of 3-cyclopropyloxy-4-nitro-1-(oxetan-3-yl)pyrazole (CID 166528210) is 3-cyclopropyloxy-4-nitro-1-(oxetan-3-yl)pyrazole.
What is the SMILES notation for 3-cyclopropyloxy-4-nitro-1-(oxetan-3-yl)pyrazole?
The canonical SMILES for 3-cyclopropyloxy-4-nitro-1-(oxetan-3-yl)pyrazole is O=[N+]([O-])c1cn(C2COC2)nc1OC1CC1.
What is the InChIKey of 3-cyclopropyloxy-4-nitro-1-(oxetan-3-yl)pyrazole?
The InChIKey is GHRRHHGSKJHMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c13-12(14)8-3-11(6-4-15-5-6)10-9(8)16-7-1-2-7/h3,6-7H,1-2,4-5H2.
What are the key properties of 3-cyclopropyloxy-4-nitro-1-(oxetan-3-yl)pyrazole?
3-cyclopropyloxy-4-nitro-1-(oxetan-3-yl)pyrazole has a molecular weight of 225.20 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyloxy-4-nitro-1-(oxetan-3-yl)pyrazole is sourced from PubChem (CID 166528210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).