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

C13H23N3O — CID 124731640

IUPAC3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole
SMILESCCOC[C@H]1CCCN1Cc1ccn(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/t13-/m1/s1
InChIKeyUBLKFRXYJIQZGM-CYBMUJFWSA-N
MW237.35 g/mol
LogP1.90
Rot. Bonds6

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

3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole (PubChem CID 124731640) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole.

Molecular Properties

Compound Name3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole
PubChem CID124731640
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole
SMILESCCOC[C@H]1CCCN1Cc1ccn(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/t13-/m1/s1
InChIKeyUBLKFRXYJIQZGM-CYBMUJFWSA-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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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole?
The IUPAC name of 3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole (CID 124731640) is 3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole.
What is the SMILES notation for 3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole?
The canonical SMILES for 3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole is CCOC[C@H]1CCCN1Cc1ccn(CC)n1.
What is the InChIKey of 3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole?
The InChIKey is UBLKFRXYJIQZGM-CYBMUJFWSA-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/t13-/m1/s1.
What are the key properties of 3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole?
3-[[(2R)-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-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-1-ethylpyrazole is sourced from PubChem (CID 124731640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).