[2-(1-ethylpyrazol-4-yl)-1-propylpyrrolidin-3-yl]methanamine

C13H24N4 — CID 103570733

IUPAC[2-(1-ethylpyrazol-4-yl)-1-propylpyrrolidin-3-yl]methanamine
SMILESCCCN1CCC(CN)C1c1cnn(CC)c1
InChIInChI=1S/C13H24N4/c1-3-6-16-7-5-11(8-14)13(16)12-9-15-17(4-2)10-12/h9-11,13H,3-8,14H2,1-2H3
InChIKeyXIEHZJUQGANRJK-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.63
Rot. Bonds5

About [2-(1-ethylpyrazol-4-yl)-1-propylpyrrolidin-3-yl]methanamine

[2-(1-ethylpyrazol-4-yl)-1-propylpyrrolidin-3-yl]methanamine (PubChem CID 103570733) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is [2-(1-ethylpyrazol-4-yl)-1-propylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(1-ethylpyrazol-4-yl)-1-propylpyrrolidin-3-yl]methanamine
PubChem CID103570733
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name[2-(1-ethylpyrazol-4-yl)-1-propylpyrrolidin-3-yl]methanamine
SMILESCCCN1CCC(CN)C1c1cnn(CC)c1
InChIInChI=1S/C13H24N4/c1-3-6-16-7-5-11(8-14)13(16)12-9-15-17(4-2)10-12/h9-11,13H,3-8,14H2,1-2H3
InChIKeyXIEHZJUQGANRJK-UHFFFAOYSA-N
XLogP1.63
TPSA47.08 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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 103570754
[2-(4-cyclopropylphenyl)-1-propylpyrrolidin-3-yl]methanamine
CID 79978121
[2-(1-propylpyrazol-4-yl)cyclobutyl]methanamine
CID 81009628
[2-(4-bromo-3-methylphenyl)-1-propylpyrrolidin-3-yl]methanamine
CID 66479694
[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 96835165
[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine
CID 122164121
[2-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine
CID 79584047
[4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine
CID 81012445
N-[(1-ethylpyrazol-4-yl)methyl]-1-propylpiperidin-4-amine
CID 62127257
1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
CID 103570717
[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine
CID 81012513
[2-(3-cyclopropylphenyl)-1-propylazepan-3-yl]methanamine
CID 79973047

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethylpyrazol-4-yl)-1-propylpyrrolidin-3-yl]methanamine?
The IUPAC name of [2-(1-ethylpyrazol-4-yl)-1-propylpyrrolidin-3-yl]methanamine (CID 103570733) is [2-(1-ethylpyrazol-4-yl)-1-propylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [2-(1-ethylpyrazol-4-yl)-1-propylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [2-(1-ethylpyrazol-4-yl)-1-propylpyrrolidin-3-yl]methanamine is CCCN1CCC(CN)C1c1cnn(CC)c1.
What is the InChIKey of [2-(1-ethylpyrazol-4-yl)-1-propylpyrrolidin-3-yl]methanamine?
The InChIKey is XIEHZJUQGANRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-6-16-7-5-11(8-14)13(16)12-9-15-17(4-2)10-12/h9-11,13H,3-8,14H2,1-2H3.
What are the key properties of [2-(1-ethylpyrazol-4-yl)-1-propylpyrrolidin-3-yl]methanamine?
[2-(1-ethylpyrazol-4-yl)-1-propylpyrrolidin-3-yl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethylpyrazol-4-yl)-1-propylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 103570733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).