[5-methyl-4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)morpholin-2-yl]methanol

C13H22N4O4 — CID 81209310

IUPAC[5-methyl-4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)morpholin-2-yl]methanol
SMILESCCCn1nc(C)c([N+](=O)[O-])c1N1CC(CO)OCC1C
InChIInChI=1S/C13H22N4O4/c1-4-5-16-13(12(17(19)20)10(3)14-16)15-6-11(7-18)21-8-9(15)2/h9,11,18H,4-8H2,1-3H3
InChIKeyKOFKPJNKIWLGEE-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.10
Rot. Bonds5

About [5-methyl-4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)morpholin-2-yl]methanol

[5-methyl-4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)morpholin-2-yl]methanol (PubChem CID 81209310) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is [5-methyl-4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)morpholin-2-yl]methanol
PubChem CID81209310
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name[5-methyl-4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)morpholin-2-yl]methanol
SMILESCCCn1nc(C)c([N+](=O)[O-])c1N1CC(CO)OCC1C
InChIInChI=1S/C13H22N4O4/c1-4-5-16-13(12(17(19)20)10(3)14-16)15-6-11(7-18)21-8-9(15)2/h9,11,18H,4-8H2,1-3H3
InChIKeyKOFKPJNKIWLGEE-UHFFFAOYSA-N
XLogP1.10
TPSA93.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.10
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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Related Compounds

[5-methyl-4-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)morpholin-2-yl]methanol
CID 81209000
4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)morpholine-3-carboxylic acid
CID 66012514
3-methyl-1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-ol
CID 114680906
[5-methyl-4-(5-nitropyrimidin-2-yl)morpholin-2-yl]methanol
CID 81218886
[5-methyl-4-(4-nitro-2-pyridinyl)morpholin-2-yl]methanol
CID 81219361
[4-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-5-methylmorpholin-2-yl]methanol
CID 81194100
4-methyl-1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)azepan-4-ol
CID 107407478
1-[1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)piperidin-4-yl]ethanamine
CID 66028595
1-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)azetidin-3-ol
CID 66012841
2-methyl-6-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)oxymethyl]morpholine
CID 102635252
[4-(2,3-difluoro-6-nitrophenyl)-5-methylmorpholin-2-yl]methanol
CID 81219444
[4-(4-bromo-2-nitrophenyl)-5-methylmorpholin-2-yl]methanol
CID 81218880

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)morpholin-2-yl]methanol?
The IUPAC name of [5-methyl-4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)morpholin-2-yl]methanol (CID 81209310) is [5-methyl-4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)morpholin-2-yl]methanol.
What is the SMILES notation for [5-methyl-4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)morpholin-2-yl]methanol?
The canonical SMILES for [5-methyl-4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)morpholin-2-yl]methanol is CCCn1nc(C)c([N+](=O)[O-])c1N1CC(CO)OCC1C.
What is the InChIKey of [5-methyl-4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)morpholin-2-yl]methanol?
The InChIKey is KOFKPJNKIWLGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-4-5-16-13(12(17(19)20)10(3)14-16)15-6-11(7-18)21-8-9(15)2/h9,11,18H,4-8H2,1-3H3.
What are the key properties of [5-methyl-4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)morpholin-2-yl]methanol?
[5-methyl-4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)morpholin-2-yl]methanol has a molecular weight of 298.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(3-methyl-4-nitro-1-propylpyrazol-5-yl)morpholin-2-yl]methanol is sourced from PubChem (CID 81209310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).