1-(4-ethylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol

C16H29N3O2 — CID 79665523

IUPAC1-(4-ethylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
SMILESCCC(CC)n1ccc(CC(O)C2CN(CC)CCO2)n1
InChIInChI=1S/C16H29N3O2/c1-4-14(5-2)19-8-7-13(17-19)11-15(20)16-12-18(6-3)9-10-21-16/h7-8,14-16,20H,4-6,9-12H2,1-3H3
InChIKeyXZYQGMPRJBCXFF-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.87
Rot. Bonds7

About 1-(4-ethylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol

1-(4-ethylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol (PubChem CID 79665523) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(4-ethylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-ethylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
PubChem CID79665523
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-(4-ethylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
SMILESCCC(CC)n1ccc(CC(O)C2CN(CC)CCO2)n1
InChIInChI=1S/C16H29N3O2/c1-4-14(5-2)19-8-7-13(17-19)11-15(20)16-12-18(6-3)9-10-21-16/h7-8,14-16,20H,4-6,9-12H2,1-3H3
InChIKeyXZYQGMPRJBCXFF-UHFFFAOYSA-N
XLogP1.87
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylmorpholin-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79745916
[1-(4-ethylmorpholin-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105247478
2-(4-chlorophenyl)-1-(4-ethylmorpholin-2-yl)ethanol
CID 79666603
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylmorpholin-2-yl)ethanol
CID 79666506
(1S)-1-[(2R)-4-ethylmorpholin-2-yl]ethane-1,2-diol
CID 177187353
2-(3,4-difluorophenyl)-1-(4-ethylmorpholin-2-yl)ethanol
CID 82919753
2-(3-chlorophenyl)-1-(4-ethylmorpholin-2-yl)ethanol
CID 79666850
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-(oxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991809
2-(1-cyclopentylpyrazol-3-yl)-1-(4-ethylmorpholin-2-yl)ethanamine
CID 79665532
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-propylmorpholin-2-yl)ethanol
CID 79669879
1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-ol
CID 79666860

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(4-ethylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol (CID 79665523) is 1-(4-ethylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(4-ethylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(4-ethylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol is CCC(CC)n1ccc(CC(O)C2CN(CC)CCO2)n1.
What is the InChIKey of 1-(4-ethylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The InChIKey is XZYQGMPRJBCXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-14(5-2)19-8-7-13(17-19)11-15(20)16-12-18(6-3)9-10-21-16/h7-8,14-16,20H,4-6,9-12H2,1-3H3.
What are the key properties of 1-(4-ethylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
1-(4-ethylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol has a molecular weight of 295.43 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylmorpholin-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 79665523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).