3-ethyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidine

C13H22N4O2 — CID 133440986

IUPAC3-ethyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidine
SMILESCCc1nn(C)c(N2CCCC(CC)C2)c1[N+](=O)[O-]
InChIInChI=1S/C13H22N4O2/c1-4-10-7-6-8-16(9-10)13-12(17(18)19)11(5-2)14-15(13)3/h10H,4-9H2,1-3H3
InChIKeyWUPOEFBXKJMLKF-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.52
Rot. Bonds4

About 3-ethyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidine

3-ethyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidine (PubChem CID 133440986) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-ethyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidine.

Molecular Properties

Compound Name3-ethyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidine
PubChem CID133440986
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-ethyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidine
SMILESCCc1nn(C)c(N2CCCC(CC)C2)c1[N+](=O)[O-]
InChIInChI=1S/C13H22N4O2/c1-4-10-7-6-8-16(9-10)13-12(17(18)19)11(5-2)14-15(13)3/h10H,4-9H2,1-3H3
InChIKeyWUPOEFBXKJMLKF-UHFFFAOYSA-N
XLogP2.52
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.52
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

2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-yl]acetic acid
CID 66015149
1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)azepane
CID 133423341
1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-3-ol
CID 66020040
2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]ethanamine
CID 66016624
N-[[1-(1,3-dimethyl-4-nitropyrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine
CID 63241635
3-cyclopropyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)azetidin-3-ol
CID 66015652
5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-amine
CID 43584190
5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carboxylic acid
CID 43584669
1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-4-(2-nitrophenyl)piperazine
CID 133423532
[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 133441149
3-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)pyrrolidin-2-yl]propan-1-ol
CID 66015848
1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776507

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidine?
The IUPAC name of 3-ethyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidine (CID 133440986) is 3-ethyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidine.
What is the SMILES notation for 3-ethyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidine?
The canonical SMILES for 3-ethyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidine is CCc1nn(C)c(N2CCCC(CC)C2)c1[N+](=O)[O-].
What is the InChIKey of 3-ethyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidine?
The InChIKey is WUPOEFBXKJMLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-10-7-6-8-16(9-10)13-12(17(18)19)11(5-2)14-15(13)3/h10H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidine?
3-ethyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidine has a molecular weight of 266.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidine is sourced from PubChem (CID 133440986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).