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

C10H15N3O3 — CID 126503350

IUPAC5-ethyl-4-nitro-1-(oxan-2-yl)pyrazole
SMILESCCc1c([N+](=O)[O-])cnn1C1CCCCO1
InChIInChI=1S/C10H15N3O3/c1-2-8-9(13(14)15)7-11-12(8)10-5-3-4-6-16-10/h7,10H,2-6H2,1H3
InChIKeyOBQFYBGIFPCTQH-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.05
Rot. Bonds3

About 5-ethyl-4-nitro-1-(oxan-2-yl)pyrazole

5-ethyl-4-nitro-1-(oxan-2-yl)pyrazole (PubChem CID 126503350) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-ethyl-4-nitro-1-(oxan-2-yl)pyrazole.

Molecular Properties

Compound Name5-ethyl-4-nitro-1-(oxan-2-yl)pyrazole
PubChem CID126503350
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-ethyl-4-nitro-1-(oxan-2-yl)pyrazole
SMILESCCc1c([N+](=O)[O-])cnn1C1CCCCO1
InChIInChI=1S/C10H15N3O3/c1-2-8-9(13(14)15)7-11-12(8)10-5-3-4-6-16-10/h7,10H,2-6H2,1H3
InChIKeyOBQFYBGIFPCTQH-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

5-chloro-4-nitro-1-(oxan-2-yl)pyrazole
CID 90010622
1-[4-nitro-1-[(2S)-oxan-2-yl]pyrazol-5-yl]ethanone
CID 124674893
1-(cyclopropylmethyl)-5-ethyl-4-nitropyrazole
CID 139947434
3-ethyl-4-nitro-1-(oxan-2-yl)pyrazole
CID 126505510
7-nitro-1-[(2R)-oxan-2-yl]indazole
CID 97052367
5-ethyl-1-methyl-4-nitropyrazole
CID 154882110
5-ethyl-3-nitro-1-(oxan-2-yl)pyridin-2-one
CID 154186878
6-ethenyl-5-nitro-1-(oxan-2-yl)indazole
CID 171567671
6-(3-methyl-1,2,4-triazol-4-yl)-4-nitro-1-(oxan-2-yl)indazole
CID 171066938
6-(2-methylimidazol-1-yl)-4-nitro-1-(oxan-2-yl)indazole
CID 171067789
2-[4-nitro-1-(oxan-2-yl)indazol-6-yl]-1,3,4-oxadiazole
CID 171067199
[4-nitro-1-(oxan-2-yl)pyrazol-3-yl]methyl methanesulfonate
CID 154618936

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-nitro-1-(oxan-2-yl)pyrazole?
The IUPAC name of 5-ethyl-4-nitro-1-(oxan-2-yl)pyrazole (CID 126503350) is 5-ethyl-4-nitro-1-(oxan-2-yl)pyrazole.
What is the SMILES notation for 5-ethyl-4-nitro-1-(oxan-2-yl)pyrazole?
The canonical SMILES for 5-ethyl-4-nitro-1-(oxan-2-yl)pyrazole is CCc1c([N+](=O)[O-])cnn1C1CCCCO1.
What is the InChIKey of 5-ethyl-4-nitro-1-(oxan-2-yl)pyrazole?
The InChIKey is OBQFYBGIFPCTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-8-9(13(14)15)7-11-12(8)10-5-3-4-6-16-10/h7,10H,2-6H2,1H3.
What are the key properties of 5-ethyl-4-nitro-1-(oxan-2-yl)pyrazole?
5-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 5-ethyl-4-nitro-1-(oxan-2-yl)pyrazole is sourced from PubChem (CID 126503350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).