3-[2-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyethyl]piperidine

C13H22N4O3 — CID 66014859

IUPAC3-[2-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyethyl]piperidine
SMILESCCc1nn(C)c(OCCC2CCCNC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H22N4O3/c1-3-11-12(17(18)19)13(16(2)15-11)20-8-6-10-5-4-7-14-9-10/h10,14H,3-9H2,1-2H3
InChIKeyWFCLZTBYMYMGDF-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.66
Rot. Bonds6

About 3-[2-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyethyl]piperidine

3-[2-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyethyl]piperidine (PubChem CID 66014859) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[2-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyethyl]piperidine.

Molecular Properties

Compound Name3-[2-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyethyl]piperidine
PubChem CID66014859
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name3-[2-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyethyl]piperidine
SMILESCCc1nn(C)c(OCCC2CCCNC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H22N4O3/c1-3-11-12(17(18)19)13(16(2)15-11)20-8-6-10-5-4-7-14-9-10/h10,14H,3-9H2,1-2H3
InChIKeyWFCLZTBYMYMGDF-UHFFFAOYSA-N
XLogP1.66
TPSA82.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
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'}

Analyze 3-[2-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-methyl-4-nitro-N-(piperidin-3-ylmethyl)pyrazol-5-amine
CID 66016613
N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-amine
CID 66016422
3-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxy-4-methylpiperidine
CID 102954468
1,3-dimethyl-5-(2-piperidin-3-ylethoxy)pyrazole-4-carboxamide
CID 63757545
4-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxymethyl]piperidine
CID 66017346
(3S)-3-[2-(4-nitrophenoxy)ethyl]piperidine
CID 86321527
3-[2-(3-chloro-2-nitrophenoxy)ethyl]piperidine
CID 104839552
4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
CID 79176653
3-nitro-2-(2-piperidin-3-ylethoxy)pyridine-4-carbonitrile
CID 82812623
3-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxycyclohexan-1-amine
CID 79465434
3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
CID 62475730
N-(azetidin-3-yl)-N,3-diethyl-1-methyl-4-nitropyrazol-5-amine
CID 66182633

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyethyl]piperidine?
The IUPAC name of 3-[2-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyethyl]piperidine (CID 66014859) is 3-[2-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyethyl]piperidine.
What is the SMILES notation for 3-[2-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyethyl]piperidine?
The canonical SMILES for 3-[2-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyethyl]piperidine is CCc1nn(C)c(OCCC2CCCNC2)c1[N+](=O)[O-].
What is the InChIKey of 3-[2-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyethyl]piperidine?
The InChIKey is WFCLZTBYMYMGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-3-11-12(17(18)19)13(16(2)15-11)20-8-6-10-5-4-7-14-9-10/h10,14H,3-9H2,1-2H3.
What are the key properties of 3-[2-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyethyl]piperidine?
3-[2-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyethyl]piperidine has a molecular weight of 282.34 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)oxyethyl]piperidine is sourced from PubChem (CID 66014859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).