3-[2-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine

C11H19N3O — CID 104704094

IUPAC3-[2-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine
SMILESCc1nn(C)cc1CCC1COCCN1
InChIInChI=1S/C11H19N3O/c1-9-10(7-14(2)13-9)3-4-11-8-15-6-5-12-11/h7,11-12H,3-6,8H2,1-2H3
InChIKeyNIODVBWGQHCEDU-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.65
Rot. Bonds3

About 3-[2-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine

3-[2-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine (PubChem CID 104704094) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[2-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine.

Molecular Properties

Compound Name3-[2-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine
PubChem CID104704094
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[2-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine
SMILESCc1nn(C)cc1CCC1COCCN1
InChIInChI=1S/C11H19N3O/c1-9-10(7-14(2)13-9)3-4-11-8-15-6-5-12-11/h7,11-12H,3-6,8H2,1-2H3
InChIKeyNIODVBWGQHCEDU-UHFFFAOYSA-N
XLogP0.65
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpiperidine
CID 116686145
3-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]morpholine
CID 116928267
3-(2-pyridin-4-ylethyl)morpholine
CID 82281556
3-(2-phenylethyl)morpholine
CID 54013840
3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]morpholine
CID 116928217
5-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 167877520
1-[2-(1,3-dimethylpyrazol-4-yl)ethyl]piperazine
CID 82611840
3-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 165375298
3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine
CID 103549624
N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline
CID 82290806
4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
CID 126855039
3-[2-(2,6-difluorophenyl)ethyl]morpholine
CID 104704070

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine?
The IUPAC name of 3-[2-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine (CID 104704094) is 3-[2-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine.
What is the SMILES notation for 3-[2-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine?
The canonical SMILES for 3-[2-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine is Cc1nn(C)cc1CCC1COCCN1.
What is the InChIKey of 3-[2-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine?
The InChIKey is NIODVBWGQHCEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-10(7-14(2)13-9)3-4-11-8-15-6-5-12-11/h7,11-12H,3-6,8H2,1-2H3.
What are the key properties of 3-[2-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine?
3-[2-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine has a molecular weight of 209.29 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine is sourced from PubChem (CID 104704094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).