4-(3-ethoxy-2-nitrophenyl)-2-(1-methylpyrazol-4-yl)morpholine

C16H20N4O4 — CID 75521043

IUPAC4-(3-ethoxy-2-nitrophenyl)-2-(1-methylpyrazol-4-yl)morpholine
SMILESCCOc1cccc(N2CCOC(c3cnn(C)c3)C2)c1[N+](=O)[O-]
InChIInChI=1S/C16H20N4O4/c1-3-23-14-6-4-5-13(16(14)20(21)22)19-7-8-24-15(11-19)12-9-17-18(2)10-12/h4-6,9-10,15H,3,7-8,11H2,1-2H3
InChIKeyTXURJACVNYZWGG-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.30
Rot. Bonds5

About 4-(3-ethoxy-2-nitrophenyl)-2-(1-methylpyrazol-4-yl)morpholine

4-(3-ethoxy-2-nitrophenyl)-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 75521043) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-(3-ethoxy-2-nitrophenyl)-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-(3-ethoxy-2-nitrophenyl)-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID75521043
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name4-(3-ethoxy-2-nitrophenyl)-2-(1-methylpyrazol-4-yl)morpholine
SMILESCCOc1cccc(N2CCOC(c3cnn(C)c3)C2)c1[N+](=O)[O-]
InChIInChI=1S/C16H20N4O4/c1-3-23-14-6-4-5-13(16(14)20(21)22)19-7-8-24-15(11-19)12-9-17-18(2)10-12/h4-6,9-10,15H,3,7-8,11H2,1-2H3
InChIKeyTXURJACVNYZWGG-UHFFFAOYSA-N
XLogP2.30
TPSA82.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

(3R)-1-(3-ethoxy-2-nitrophenyl)pyrrolidin-3-ol
CID 113423410
(3R)-1-(3-ethoxy-2-nitrophenyl)-3-methylpiperazine
CID 104976212
4-(3-ethoxy-2-nitrophenyl)-1-methylpiperazin-2-one
CID 91648240
1-[(3S)-1-(3-ethoxy-2-nitrophenyl)pyrrolidin-3-yl]-2,5-dihydropyrrole
CID 98291452
8-(3-ethoxy-2-nitrophenyl)-5-oxa-8-azaspiro[3.5]nonane
CID 75522955
2-(1-methylpyrazol-4-yl)-4-(2-propylquinolin-4-yl)morpholine
CID 133412215
2-(1-methylpyrazol-4-yl)-4-(5-methylpyrimidin-2-yl)morpholine
CID 133404065
2-(4-bromophenyl)-4-(3-fluoro-2-nitrophenyl)morpholine
CID 47983349
2-(1-ethylpyrazol-4-yl)-4-(3-methyl-5-nitro-2-pyridinyl)morpholine
CID 122139237
2-(3,4-dichlorophenyl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine
CID 133432590
1-[1-(3-ethoxy-2-nitrophenyl)piperidin-3-yl]pyrrolidin-2-one
CID 84600030
1-(3-ethoxy-2-nitrophenyl)-N-phenylpiperidin-4-amine
CID 133468927

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-2-nitrophenyl)-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 4-(3-ethoxy-2-nitrophenyl)-2-(1-methylpyrazol-4-yl)morpholine (CID 75521043) is 4-(3-ethoxy-2-nitrophenyl)-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 4-(3-ethoxy-2-nitrophenyl)-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 4-(3-ethoxy-2-nitrophenyl)-2-(1-methylpyrazol-4-yl)morpholine is CCOc1cccc(N2CCOC(c3cnn(C)c3)C2)c1[N+](=O)[O-].
What is the InChIKey of 4-(3-ethoxy-2-nitrophenyl)-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is TXURJACVNYZWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-3-23-14-6-4-5-13(16(14)20(21)22)19-7-8-24-15(11-19)12-9-17-18(2)10-12/h4-6,9-10,15H,3,7-8,11H2,1-2H3.
What are the key properties of 4-(3-ethoxy-2-nitrophenyl)-2-(1-methylpyrazol-4-yl)morpholine?
4-(3-ethoxy-2-nitrophenyl)-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 332.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-2-nitrophenyl)-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 75521043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).