2-(3,4-dimethoxypyrrolidin-1-yl)-2-(1,5-dimethylpyrazol-4-yl)ethanamine

C13H24N4O2 — CID 103531830

IUPAC2-(3,4-dimethoxypyrrolidin-1-yl)-2-(1,5-dimethylpyrazol-4-yl)ethanamine
SMILESCOC1CN(C(CN)c2cnn(C)c2C)CC1OC
InChIInChI=1S/C13H24N4O2/c1-9-10(6-15-16(9)2)11(5-14)17-7-12(18-3)13(8-17)19-4/h6,11-13H,5,7-8,14H2,1-4H3
InChIKeyXKOBQICRNGTCBS-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.07
Rot. Bonds5

About 2-(3,4-dimethoxypyrrolidin-1-yl)-2-(1,5-dimethylpyrazol-4-yl)ethanamine

2-(3,4-dimethoxypyrrolidin-1-yl)-2-(1,5-dimethylpyrazol-4-yl)ethanamine (PubChem CID 103531830) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(3,4-dimethoxypyrrolidin-1-yl)-2-(1,5-dimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxypyrrolidin-1-yl)-2-(1,5-dimethylpyrazol-4-yl)ethanamine
PubChem CID103531830
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-(3,4-dimethoxypyrrolidin-1-yl)-2-(1,5-dimethylpyrazol-4-yl)ethanamine
SMILESCOC1CN(C(CN)c2cnn(C)c2C)CC1OC
InChIInChI=1S/C13H24N4O2/c1-9-10(6-15-16(9)2)11(5-14)17-7-12(18-3)13(8-17)19-4/h6,11-13H,5,7-8,14H2,1-4H3
InChIKeyXKOBQICRNGTCBS-UHFFFAOYSA-N
XLogP0.07
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-2-(1,5-dimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-2-(1,5-dimethylpyrazol-4-yl)ethanamine (CID 103531830) is 2-(3,4-dimethoxypyrrolidin-1-yl)-2-(1,5-dimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxypyrrolidin-1-yl)-2-(1,5-dimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(3,4-dimethoxypyrrolidin-1-yl)-2-(1,5-dimethylpyrazol-4-yl)ethanamine is COC1CN(C(CN)c2cnn(C)c2C)CC1OC.
What is the InChIKey of 2-(3,4-dimethoxypyrrolidin-1-yl)-2-(1,5-dimethylpyrazol-4-yl)ethanamine?
The InChIKey is XKOBQICRNGTCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-9-10(6-15-16(9)2)11(5-14)17-7-12(18-3)13(8-17)19-4/h6,11-13H,5,7-8,14H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxypyrrolidin-1-yl)-2-(1,5-dimethylpyrazol-4-yl)ethanamine?
2-(3,4-dimethoxypyrrolidin-1-yl)-2-(1,5-dimethylpyrazol-4-yl)ethanamine has a molecular weight of 268.36 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxypyrrolidin-1-yl)-2-(1,5-dimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 103531830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).