3-(2-prop-2-enylpyrazol-3-yl)morpholine

C10H15N3O — CID 84772813

IUPAC3-(2-prop-2-enylpyrazol-3-yl)morpholine
SMILESC=CCn1nccc1C1COCCN1
InChIInChI=1S/C10H15N3O/c1-2-6-13-10(3-4-12-13)9-8-14-7-5-11-9/h2-4,9,11H,1,5-8H2
InChIKeyXZKGGVYKYLHCAO-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.73
Rot. Bonds3

About 3-(2-prop-2-enylpyrazol-3-yl)morpholine

3-(2-prop-2-enylpyrazol-3-yl)morpholine (PubChem CID 84772813) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(2-prop-2-enylpyrazol-3-yl)morpholine.

Molecular Properties

Compound Name3-(2-prop-2-enylpyrazol-3-yl)morpholine
PubChem CID84772813
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-(2-prop-2-enylpyrazol-3-yl)morpholine
SMILESC=CCn1nccc1C1COCCN1
InChIInChI=1S/C10H15N3O/c1-2-6-13-10(3-4-12-13)9-8-14-7-5-11-9/h2-4,9,11H,1,5-8H2
InChIKeyXZKGGVYKYLHCAO-UHFFFAOYSA-N
XLogP0.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-methylpropyl)pyrazol-3-yl]morpholine
CID 84780835
3-pyridin-2-ylmorpholine
CID 54247101
1-(cyclobutylmethyl)-5-pyrrolidin-2-ylpyrazole
CID 84778724
4-[(3R)-morpholin-3-yl]benzenethiol
CID 130654195
3-(3-chloro-4-pyridinyl)morpholine
CID 55273452
1-ethenyl-5-pyrrolidin-2-ylpyrazole
CID 84764702
(3R)-3-(3-chlorothiophen-2-yl)morpholine
CID 96860760
3-(5-chloro-1H-pyrazol-4-yl)morpholine
CID 84770590
(3S)-3-(5,6-dichloro-2-pyridinyl)morpholine
CID 130706269
(3S)-3-(4-fluorophenyl)morpholine
CID 22860769
3-(1,2-oxazol-3-yl)morpholine
CID 82595372
(3R)-3-(2,6-dichlorophenyl)morpholine;hydrochloride
CID 171192450

Frequently Asked Questions

What is the IUPAC name of 3-(2-prop-2-enylpyrazol-3-yl)morpholine?
The IUPAC name of 3-(2-prop-2-enylpyrazol-3-yl)morpholine (CID 84772813) is 3-(2-prop-2-enylpyrazol-3-yl)morpholine.
What is the SMILES notation for 3-(2-prop-2-enylpyrazol-3-yl)morpholine?
The canonical SMILES for 3-(2-prop-2-enylpyrazol-3-yl)morpholine is C=CCn1nccc1C1COCCN1.
What is the InChIKey of 3-(2-prop-2-enylpyrazol-3-yl)morpholine?
The InChIKey is XZKGGVYKYLHCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-6-13-10(3-4-12-13)9-8-14-7-5-11-9/h2-4,9,11H,1,5-8H2.
What are the key properties of 3-(2-prop-2-enylpyrazol-3-yl)morpholine?
3-(2-prop-2-enylpyrazol-3-yl)morpholine has a molecular weight of 193.25 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-prop-2-enylpyrazol-3-yl)morpholine is sourced from PubChem (CID 84772813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).