4-methoxy-1-(1-methyl-4-nitropyrazol-5-yl)piperidine

C10H16N4O3 — CID 141363083

IUPAC4-methoxy-1-(1-methyl-4-nitropyrazol-5-yl)piperidine
SMILESCOC1CCN(c2c([N+](=O)[O-])cnn2C)CC1
InChIInChI=1S/C10H16N4O3/c1-12-10(9(7-11-12)14(15)16)13-5-3-8(17-2)4-6-13/h7-8H,3-6H2,1-2H3
InChIKeyNIYYGBUXELTYKG-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.94
Rot. Bonds3

About 4-methoxy-1-(1-methyl-4-nitropyrazol-5-yl)piperidine

4-methoxy-1-(1-methyl-4-nitropyrazol-5-yl)piperidine (PubChem CID 141363083) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-methoxy-1-(1-methyl-4-nitropyrazol-5-yl)piperidine.

Molecular Properties

Compound Name4-methoxy-1-(1-methyl-4-nitropyrazol-5-yl)piperidine
PubChem CID141363083
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name4-methoxy-1-(1-methyl-4-nitropyrazol-5-yl)piperidine
SMILESCOC1CCN(c2c([N+](=O)[O-])cnn2C)CC1
InChIInChI=1S/C10H16N4O3/c1-12-10(9(7-11-12)14(15)16)13-5-3-8(17-2)4-6-13/h7-8H,3-6H2,1-2H3
InChIKeyNIYYGBUXELTYKG-UHFFFAOYSA-N
XLogP0.94
TPSA73.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.94
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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Related Compounds

[6-methoxy-1-(1-methyl-4-nitropyrazol-5-yl)azepan-4-yl]carbamic acid
CID 89456974
[(4S,5S)-5-hydroxy-1-(1-methyl-4-nitropyrazol-5-yl)azepan-4-yl]carbamic acid
CID 89456612
5-bromo-2-(4-methoxypiperidin-1-yl)-3-nitropyridine
CID 61375860
(3S,5S)-5-amino-1-(1-methyl-4-nitropyrazol-5-yl)azepan-3-ol
CID 129411121
2,2,2-tris[5-hydroxy-4-methyl-1-(1-methyl-4-nitropyrazol-5-yl)azepan-4-yl]acetamide
CID 174732709
(3R,4S)-3-fluoro-1-(1-methyl-4-nitropyrazol-5-yl)azepan-4-amine
CID 129411738
6-(4-methoxypiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81438441
tert-butyl N-[5-(methoxymethyl)-1-(1-methyl-4-nitropyrazol-5-yl)azepan-4-yl]carbamate
CID 142770505
tert-butyl N-[(4R,5R)-5-fluoro-1-(1-methyl-4-nitropyrazol-5-yl)azepan-4-yl]carbamate
CID 125496377
4-methyl-1-(1-methyl-4-nitropyrazol-5-yl)azepan-4-ol
CID 86679984
tert-butyl N-[(8R,9S)-8-methoxy-5-(1-methyl-4-nitropyrazol-5-yl)-5-azaspiro[2.6]nonan-9-yl]carbamate
CID 89484198
ethyl 6-fluoro-1-(1-methyl-4-nitropyrazol-5-yl)-5-oxoazepane-4-carboxylate
CID 86679976

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(1-methyl-4-nitropyrazol-5-yl)piperidine?
The IUPAC name of 4-methoxy-1-(1-methyl-4-nitropyrazol-5-yl)piperidine (CID 141363083) is 4-methoxy-1-(1-methyl-4-nitropyrazol-5-yl)piperidine.
What is the SMILES notation for 4-methoxy-1-(1-methyl-4-nitropyrazol-5-yl)piperidine?
The canonical SMILES for 4-methoxy-1-(1-methyl-4-nitropyrazol-5-yl)piperidine is COC1CCN(c2c([N+](=O)[O-])cnn2C)CC1.
What is the InChIKey of 4-methoxy-1-(1-methyl-4-nitropyrazol-5-yl)piperidine?
The InChIKey is NIYYGBUXELTYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-12-10(9(7-11-12)14(15)16)13-5-3-8(17-2)4-6-13/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-methoxy-1-(1-methyl-4-nitropyrazol-5-yl)piperidine?
4-methoxy-1-(1-methyl-4-nitropyrazol-5-yl)piperidine has a molecular weight of 240.26 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(1-methyl-4-nitropyrazol-5-yl)piperidine is sourced from PubChem (CID 141363083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).