2-[2-(1-ethylpyrrolidin-3-yl)pyrazol-3-yl]-N-methylpropan-1-amine

C13H24N4 — CID 105498249

IUPAC2-[2-(1-ethylpyrrolidin-3-yl)pyrazol-3-yl]-N-methylpropan-1-amine
SMILESCCN1CCC(n2nccc2C(C)CNC)C1
InChIInChI=1S/C13H24N4/c1-4-16-8-6-12(10-16)17-13(5-7-15-17)11(2)9-14-3/h5,7,11-12,14H,4,6,8-10H2,1-3H3
InChIKeyGZXVDCATJOFBJF-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.47
Rot. Bonds5

About 2-[2-(1-ethylpyrrolidin-3-yl)pyrazol-3-yl]-N-methylpropan-1-amine

2-[2-(1-ethylpyrrolidin-3-yl)pyrazol-3-yl]-N-methylpropan-1-amine (PubChem CID 105498249) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[2-(1-ethylpyrrolidin-3-yl)pyrazol-3-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[2-(1-ethylpyrrolidin-3-yl)pyrazol-3-yl]-N-methylpropan-1-amine
PubChem CID105498249
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-[2-(1-ethylpyrrolidin-3-yl)pyrazol-3-yl]-N-methylpropan-1-amine
SMILESCCN1CCC(n2nccc2C(C)CNC)C1
InChIInChI=1S/C13H24N4/c1-4-16-8-6-12(10-16)17-13(5-7-15-17)11(2)9-14-3/h5,7,11-12,14H,4,6,8-10H2,1-3H3
InChIKeyGZXVDCATJOFBJF-UHFFFAOYSA-N
XLogP1.47
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpyrrolidin-3-yl)pyrazole-3-carbonitrile
CID 105444431
2-(1-ethylpiperidin-3-yl)pyrazole-3-carboxylic acid
CID 105480601
2-(2-cyclopentylpyrazol-3-yl)propan-1-amine
CID 83878565
2-(2-cyclobutylpyrazol-3-yl)propan-1-amine
CID 83875236
N-methyl-2-(2-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 105439687
5-bromo-1-(1-ethylazetidin-3-yl)pyrazole
CID 105487452
1-(1-ethylpyrrolidin-3-yl)-2-(methylamino)ethanol
CID 117237155
[2-(1-propan-2-ylpyrrolidin-3-yl)pyrazol-3-yl]methanamine
CID 105462337
2-[2-(4-fluorophenyl)pyrazol-3-yl]-N-methylpropan-1-amine
CID 105492833
2-(2-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 83890277
3-(2-ethylpyrazol-3-yl)-N,2-dimethylbutan-1-amine
CID 81016747
2-cyclopropyl-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine
CID 83828119

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethylpyrrolidin-3-yl)pyrazol-3-yl]-N-methylpropan-1-amine?
The IUPAC name of 2-[2-(1-ethylpyrrolidin-3-yl)pyrazol-3-yl]-N-methylpropan-1-amine (CID 105498249) is 2-[2-(1-ethylpyrrolidin-3-yl)pyrazol-3-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[2-(1-ethylpyrrolidin-3-yl)pyrazol-3-yl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[2-(1-ethylpyrrolidin-3-yl)pyrazol-3-yl]-N-methylpropan-1-amine is CCN1CCC(n2nccc2C(C)CNC)C1.
What is the InChIKey of 2-[2-(1-ethylpyrrolidin-3-yl)pyrazol-3-yl]-N-methylpropan-1-amine?
The InChIKey is GZXVDCATJOFBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-16-8-6-12(10-16)17-13(5-7-15-17)11(2)9-14-3/h5,7,11-12,14H,4,6,8-10H2,1-3H3.
What are the key properties of 2-[2-(1-ethylpyrrolidin-3-yl)pyrazol-3-yl]-N-methylpropan-1-amine?
2-[2-(1-ethylpyrrolidin-3-yl)pyrazol-3-yl]-N-methylpropan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethylpyrrolidin-3-yl)pyrazol-3-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 105498249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).