3-[[2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole

C13H23N3O — CID 91843670

IUPAC3-[[2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole
SMILESCCOCC1CCCN1Cc1ccn(CC)n1
InChIInChI=1S/C13H23N3O/c1-3-16-9-7-12(14-16)10-15-8-5-6-13(15)11-17-4-2/h7,9,13H,3-6,8,10-11H2,1-2H3
InChIKeyUBLKFRXYJIQZGM-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.90
Rot. Bonds6

About 3-[[2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole

3-[[2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole (PubChem CID 91843670) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[[2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole.

Molecular Properties

Compound Name3-[[2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole
PubChem CID91843670
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[[2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole
SMILESCCOCC1CCCN1Cc1ccn(CC)n1
InChIInChI=1S/C13H23N3O/c1-3-16-9-7-12(14-16)10-15-8-5-6-13(15)11-17-4-2/h7,9,13H,3-6,8,10-11H2,1-2H3
InChIKeyUBLKFRXYJIQZGM-UHFFFAOYSA-N
XLogP1.90
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(oxan-4-yl)-1H-pyrazole
CID 64453825
1-[1-(oxan-2-yl)-1H-pyrazol-5-yl]methanamine
CID 75485677
4-{[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl}-5-methyl-1-propyl-1H-pyrazole
CID 77093123
4-{ethyl[(1-ethyl-1H-pyrazol-3-yl)methyl]amino}tetrahydrofuran-3-ol
CID 91833531
4-[(1-ethyl-1H-pyrazol-3-yl)methyl]-2-(2-methoxyethyl)morpholine
CID 91843740
3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole
CID 124731640
(3R)-3-methyl-4-[[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]triazol-4-yl]methyl]morpholine
CID 136585137
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine
CID 164639531
1-(3-Fluorooxetan-3-yl)-4-(3-methylpyrazol-1-yl)piperidine
CID 141336746
1-[[(2S)-oxolan-2-yl]methyl]-5-(trifluoromethyl)pyrazole
CID 153355727
N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62442541
1-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine
CID 62565250

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole?
The IUPAC name of 3-[[2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole (CID 91843670) is 3-[[2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole.
What is the SMILES notation for 3-[[2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole?
The canonical SMILES for 3-[[2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole is CCOCC1CCCN1Cc1ccn(CC)n1.
What is the InChIKey of 3-[[2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole?
The InChIKey is UBLKFRXYJIQZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-16-9-7-12(14-16)10-15-8-5-6-13(15)11-17-4-2/h7,9,13H,3-6,8,10-11H2,1-2H3.
What are the key properties of 3-[[2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole?
3-[[2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole has a molecular weight of 237.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole is sourced from PubChem (CID 91843670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).