4-(1-methyl-4-nitropyrazol-5-yl)morpholine

C8H12N4O3 — CID 3598758

IUPAC4-(1-methyl-4-nitropyrazol-5-yl)morpholine
SMILESCn1ncc([N+](=O)[O-])c1N1CCOCC1
InChIInChI=1S/C8H12N4O3/c1-10-8(7(6-9-10)12(13)14)11-2-4-15-5-3-11/h6H,2-5H2,1H3
InChIKeyWWTLGXFIHWUSOO-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.16
Rot. Bonds2

About 4-(1-methyl-4-nitropyrazol-5-yl)morpholine

4-(1-methyl-4-nitropyrazol-5-yl)morpholine (PubChem CID 3598758) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-(1-methyl-4-nitropyrazol-5-yl)morpholine.

Molecular Properties

Compound Name4-(1-methyl-4-nitropyrazol-5-yl)morpholine
PubChem CID3598758
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name4-(1-methyl-4-nitropyrazol-5-yl)morpholine
SMILESCn1ncc([N+](=O)[O-])c1N1CCOCC1
InChIInChI=1S/C8H12N4O3/c1-10-8(7(6-9-10)12(13)14)11-2-4-15-5-3-11/h6H,2-5H2,1H3
InChIKeyWWTLGXFIHWUSOO-UHFFFAOYSA-N
XLogP0.16
TPSA73.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.16
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

2-(5-Amino-4-nitropyrazol-1-yl)ethanol
CID 14884177
1-(2-Methoxyethyl)-4-nitropyrazol-5-amine
CID 162716457
(S)-5-(3-fluoropyrrolidin-1-yl)-1-methyl-4-nitro-1H-pyrazole
CID 58464744
4-fluoro-1-(1-methyl-4-nitro-1H-pyrazol-5-yl)piperidine
CID 58464755
(R)-5-(3-fluoropyrrolidin-1-yl)-1-methyl-4-nitro-1H-pyrazole
CID 58464854
3,3-difluoro-1-(1-methyl-4-nitro-1H-pyrazol-5-yl)piperidine
CID 58464978
3-fluoro-1-(1-methyl-4-nitro-1H-pyrazol-5-yl)piperidine
CID 58464981
4,4-difluoro-1-(1-methyl-4-nitro-1H-pyrazol-5-yl)piperidine
CID 58465091
3,3-difluoro-1-(4-nitro-1-(2-((trimethylsilyl)methoxy)ethyl)-1H-pyrazol-5-yl)piperidine
CID 66851465
5-(3-Fluoropyrrolidin-1-yl)-1-methyl-4-nitropyrazole
CID 67436661
2-[5-(3,3-Difluoropiperidin-1-yl)-4-nitropyrazol-1-yl]ethanol
CID 70801825
3-fluoro-1-(1-methyl-4-nitro-1H-pyrazol-5-yl)piperidin-4-one
CID 86679977

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-4-nitropyrazol-5-yl)morpholine?
The IUPAC name of 4-(1-methyl-4-nitropyrazol-5-yl)morpholine (CID 3598758) is 4-(1-methyl-4-nitropyrazol-5-yl)morpholine.
What is the SMILES notation for 4-(1-methyl-4-nitropyrazol-5-yl)morpholine?
The canonical SMILES for 4-(1-methyl-4-nitropyrazol-5-yl)morpholine is Cn1ncc([N+](=O)[O-])c1N1CCOCC1.
What is the InChIKey of 4-(1-methyl-4-nitropyrazol-5-yl)morpholine?
The InChIKey is WWTLGXFIHWUSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-10-8(7(6-9-10)12(13)14)11-2-4-15-5-3-11/h6H,2-5H2,1H3.
What are the key properties of 4-(1-methyl-4-nitropyrazol-5-yl)morpholine?
4-(1-methyl-4-nitropyrazol-5-yl)morpholine has a molecular weight of 212.21 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-4-nitropyrazol-5-yl)morpholine is sourced from PubChem (CID 3598758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).