2-[(1,3-dimethyl-4-nitropyrazol-5-yl)oxymethyl]-6-methylmorpholine

C11H18N4O4 — CID 102634942

IUPAC2-[(1,3-dimethyl-4-nitropyrazol-5-yl)oxymethyl]-6-methylmorpholine
SMILESCc1nn(C)c(OCC2CNCC(C)O2)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O4/c1-7-4-12-5-9(19-7)6-18-11-10(15(16)17)8(2)13-14(11)3/h7,9,12H,4-6H2,1-3H3
InChIKeyMEMQEIQOMYPZAN-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.39
Rot. Bonds4

About 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)oxymethyl]-6-methylmorpholine

2-[(1,3-dimethyl-4-nitropyrazol-5-yl)oxymethyl]-6-methylmorpholine (PubChem CID 102634942) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)oxymethyl]-6-methylmorpholine.

Molecular Properties

Compound Name2-[(1,3-dimethyl-4-nitropyrazol-5-yl)oxymethyl]-6-methylmorpholine
PubChem CID102634942
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name2-[(1,3-dimethyl-4-nitropyrazol-5-yl)oxymethyl]-6-methylmorpholine
SMILESCc1nn(C)c(OCC2CNCC(C)O2)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O4/c1-7-4-12-5-9(19-7)6-18-11-10(15(16)17)8(2)13-14(11)3/h7,9,12H,4-6H2,1-3H3
InChIKeyMEMQEIQOMYPZAN-UHFFFAOYSA-N
XLogP0.39
TPSA91.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.39
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)oxymethyl]-6-methylmorpholine?
The IUPAC name of 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)oxymethyl]-6-methylmorpholine (CID 102634942) is 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)oxymethyl]-6-methylmorpholine.
What is the SMILES notation for 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)oxymethyl]-6-methylmorpholine?
The canonical SMILES for 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)oxymethyl]-6-methylmorpholine is Cc1nn(C)c(OCC2CNCC(C)O2)c1[N+](=O)[O-].
What is the InChIKey of 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)oxymethyl]-6-methylmorpholine?
The InChIKey is MEMQEIQOMYPZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-7-4-12-5-9(19-7)6-18-11-10(15(16)17)8(2)13-14(11)3/h7,9,12H,4-6H2,1-3H3.
What are the key properties of 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)oxymethyl]-6-methylmorpholine?
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)oxymethyl]-6-methylmorpholine has a molecular weight of 270.29 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)oxymethyl]-6-methylmorpholine is sourced from PubChem (CID 102634942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).