2-methyl-6-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxymethyl]morpholine

C13H22N4O4 — CID 102635252

IUPAC2-methyl-6-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxymethyl]morpholine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1OCC1CNCC(C)O1
InChIInChI=1S/C13H22N4O4/c1-4-5-16-13(12(17(18)19)10(3)15-16)20-8-11-7-14-6-9(2)21-11/h9,11,14H,4-8H2,1-3H3
InChIKeyLIZOAUUVZKYRSZ-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.27
Rot. Bonds6

About 2-methyl-6-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxymethyl]morpholine

2-methyl-6-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxymethyl]morpholine (PubChem CID 102635252) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-methyl-6-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxymethyl]morpholine.

Molecular Properties

Compound Name2-methyl-6-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxymethyl]morpholine
PubChem CID102635252
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name2-methyl-6-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxymethyl]morpholine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1OCC1CNCC(C)O1
InChIInChI=1S/C13H22N4O4/c1-4-5-16-13(12(17(18)19)10(3)15-16)20-8-11-7-14-6-9(2)21-11/h9,11,14H,4-8H2,1-3H3
InChIKeyLIZOAUUVZKYRSZ-UHFFFAOYSA-N
XLogP1.27
TPSA91.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.27
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-methyl-6-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxymethyl]morpholine?
The IUPAC name of 2-methyl-6-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxymethyl]morpholine (CID 102635252) is 2-methyl-6-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxymethyl]morpholine.
What is the SMILES notation for 2-methyl-6-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxymethyl]morpholine?
The canonical SMILES for 2-methyl-6-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxymethyl]morpholine is CCCn1nc(C)c([N+](=O)[O-])c1OCC1CNCC(C)O1.
What is the InChIKey of 2-methyl-6-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxymethyl]morpholine?
The InChIKey is LIZOAUUVZKYRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-4-5-16-13(12(17(18)19)10(3)15-16)20-8-11-7-14-6-9(2)21-11/h9,11,14H,4-8H2,1-3H3.
What are the key properties of 2-methyl-6-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxymethyl]morpholine?
2-methyl-6-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxymethyl]morpholine has a molecular weight of 298.34 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxymethyl]morpholine is sourced from PubChem (CID 102635252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).