[4-[(1-ethylpyrazol-4-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol

C13H23N3O2 — CID 114779993

IUPAC[4-[(1-ethylpyrazol-4-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCn1cc(CN2CC(CO)OC(C)(C)C2)cn1
InChIInChI=1S/C13H23N3O2/c1-4-16-7-11(5-14-16)6-15-8-12(9-17)18-13(2,3)10-15/h5,7,12,17H,4,6,8-10H2,1-3H3
InChIKeyHSTVIYJABKGCIO-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.87
Rot. Bonds4

About [4-[(1-ethylpyrazol-4-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[(1-ethylpyrazol-4-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114779993) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is [4-[(1-ethylpyrazol-4-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(1-ethylpyrazol-4-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114779993
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name[4-[(1-ethylpyrazol-4-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCn1cc(CN2CC(CO)OC(C)(C)C2)cn1
InChIInChI=1S/C13H23N3O2/c1-4-16-7-11(5-14-16)6-15-8-12(9-17)18-13(2,3)10-15/h5,7,12,17H,4,6,8-10H2,1-3H3
InChIKeyHSTVIYJABKGCIO-UHFFFAOYSA-N
XLogP0.87
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(1-ethylpyrazol-4-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol with MolForge

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Related Compounds

[6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol
CID 114779633
[6,6-dimethyl-4-[(3-propylimidazol-4-yl)methyl]morpholin-2-yl]methanol
CID 114779787
[4-[(5-bromothiophen-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779935
3-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzoic acid
CID 114777343
(5S,9S)-7-[(1-ethylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol
CID 110156033
5-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]-1-methylpyrazole-4-carboxylic acid
CID 114777296
1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
CID 81114923
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanol
CID 114779184
[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779886
[6,6-dimethyl-4-[(3-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 114779835
[4-[[4-(aminomethyl)-2-methylphenyl]methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776468
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]acetamide
CID 114779554

Frequently Asked Questions

What is the IUPAC name of [4-[(1-ethylpyrazol-4-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(1-ethylpyrazol-4-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114779993) is [4-[(1-ethylpyrazol-4-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(1-ethylpyrazol-4-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(1-ethylpyrazol-4-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol is CCn1cc(CN2CC(CO)OC(C)(C)C2)cn1.
What is the InChIKey of [4-[(1-ethylpyrazol-4-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is HSTVIYJABKGCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-16-7-11(5-14-16)6-15-8-12(9-17)18-13(2,3)10-15/h5,7,12,17H,4,6,8-10H2,1-3H3.
What are the key properties of [4-[(1-ethylpyrazol-4-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[(1-ethylpyrazol-4-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 253.35 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-ethylpyrazol-4-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114779993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).