3-ethyl-4-nitro-1-(oxan-2-yl)pyrazole

C10H15N3O3 — CID 126505510

IUPAC3-ethyl-4-nitro-1-(oxan-2-yl)pyrazole
SMILESCCc1nn(C2CCCCO2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O3/c1-2-8-9(13(14)15)7-12(11-8)10-5-3-4-6-16-10/h7,10H,2-6H2,1H3
InChIKeyOXHKJZFMCYAXQT-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.05
Rot. Bonds3

About 3-ethyl-4-nitro-1-(oxan-2-yl)pyrazole

3-ethyl-4-nitro-1-(oxan-2-yl)pyrazole (PubChem CID 126505510) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-ethyl-4-nitro-1-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name3-ethyl-4-nitro-1-(oxan-2-yl)pyrazole
PubChem CID126505510
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-ethyl-4-nitro-1-(oxan-2-yl)pyrazole
SMILESCCc1nn(C2CCCCO2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O3/c1-2-8-9(13(14)15)7-12(11-8)10-5-3-4-6-16-10/h7,10H,2-6H2,1H3
InChIKeyOXHKJZFMCYAXQT-UHFFFAOYSA-N
XLogP2.05
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.05
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

[4-nitro-1-(oxan-2-yl)pyrazol-3-yl]methyl methanesulfonate
CID 154618936
3-ethyl-4-iodo-1-(oxan-2-yl)pyrazole
CID 171763261
5-ethyl-4-nitro-1-(oxan-2-yl)pyrazole
CID 126503350
5-ethyl-3-nitro-1-(oxan-2-yl)pyridin-2-one
CID 154186878
2-[6-ethyl-2-[4-nitro-1-(oxan-2-yl)pyrazol-3-yl]-3H-benzimidazol-5-yl]ethanol
CID 136609057
1-[5-nitro-2-(oxan-2-yl)indazol-6-yl]ethane-1,1-diol
CID 176862157
4-nitro-1-[(2R)-oxan-2-yl]-N-[1-[(2S)-oxan-2-yl]piperidin-4-yl]pyrazole-3-carboxamide
CID 99908932
4-nitro-1-[(2S)-oxan-2-yl]-N-[1-[(2R)-oxan-2-yl]piperidin-4-yl]pyrazole-3-carboxamide
CID 99908933
ethane;3-methyl-6-[4-nitro-1-(oxan-2-yl)pyrazol-3-yl]-2H-pyrazolo[4,3-c]pyridine
CID 177037759
4-nitro-1-(oxan-2-yl)imidazole
CID 170352371
4-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-3-ethyl-1-(oxan-2-yl)pyrazole
CID 89201384
5-chloro-4-nitro-1-(oxan-2-yl)pyrazole
CID 90010622

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-nitro-1-(oxan-2-yl)pyrazole?
The IUPAC name of 3-ethyl-4-nitro-1-(oxan-2-yl)pyrazole (CID 126505510) is 3-ethyl-4-nitro-1-(oxan-2-yl)pyrazole.
What is the SMILES notation for 3-ethyl-4-nitro-1-(oxan-2-yl)pyrazole?
The canonical SMILES for 3-ethyl-4-nitro-1-(oxan-2-yl)pyrazole is CCc1nn(C2CCCCO2)cc1[N+](=O)[O-].
What is the InChIKey of 3-ethyl-4-nitro-1-(oxan-2-yl)pyrazole?
The InChIKey is OXHKJZFMCYAXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-8-9(13(14)15)7-12(11-8)10-5-3-4-6-16-10/h7,10H,2-6H2,1H3.
What are the key properties of 3-ethyl-4-nitro-1-(oxan-2-yl)pyrazole?
3-ethyl-4-nitro-1-(oxan-2-yl)pyrazole has a molecular weight of 225.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-nitro-1-(oxan-2-yl)pyrazole is sourced from PubChem (CID 126505510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).