4-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]morpholine

C11H19N3O — CID 4178795

IUPAC4-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]morpholine
SMILESCc1[nH]nc(CCN2CCOCC2)c1C
InChIInChI=1S/C11H19N3O/c1-9-10(2)12-13-11(9)3-4-14-5-7-15-8-6-14/h3-8H2,1-2H3,(H,12,13)
InChIKeyZNNKCYDGPKGXRR-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.90
Rot. Bonds3

About 4-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]morpholine

4-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]morpholine (PubChem CID 4178795) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]morpholine
PubChem CID4178795
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]morpholine
SMILESCc1[nH]nc(CCN2CCOCC2)c1C
InChIInChI=1S/C11H19N3O/c1-9-10(2)12-13-11(9)3-4-14-5-7-15-8-6-14/h3-8H2,1-2H3,(H,12,13)
InChIKeyZNNKCYDGPKGXRR-UHFFFAOYSA-N
XLogP0.90
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methylmorpholine
CID 126792155
1-[(5-Tert-butyl-1H-pyrazol-3-YL)methyl]-4-(2-methoxyethyl)piperazine
CID 77097114
1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
CID 86808371
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methylethanamine
CID 124752008
N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylpropan-1-amine
CID 129612161
3,5-Dimethyl-4-(2-piperidin-1-ylethyl)-1H-pyrazole
CID 3260653
(3S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyloxolan-3-amine
CID 129623867
1-(2-methoxyethyl)-4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 95816847
3-Methyl-4-[2-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]morpholine
CID 137843583
3,5-dimethyl-4-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]-1H-pyrazole
CID 137844544
4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]morpholine
CID 1215255
2-(cyclohexylmethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]morpholine
CID 56871968

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]morpholine (CID 4178795) is 4-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]morpholine is Cc1[nH]nc(CCN2CCOCC2)c1C.
What is the InChIKey of 4-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]morpholine?
The InChIKey is ZNNKCYDGPKGXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-10(2)12-13-11(9)3-4-14-5-7-15-8-6-14/h3-8H2,1-2H3,(H,12,13).
What are the key properties of 4-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]morpholine?
4-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]morpholine has a molecular weight of 209.29 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]morpholine is sourced from PubChem (CID 4178795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).