N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine

C15H28N4 — CID 64800508

IUPACN-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCCC(CC)n1ccc(CNCCN2CCCC2)n1
InChIInChI=1S/C15H28N4/c1-3-15(4-2)19-11-7-14(17-19)13-16-8-12-18-9-5-6-10-18/h7,11,15-16H,3-6,8-10,12-13H2,1-2H3
InChIKeyVRBGBGLIYJVCTF-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.43
Rot. Bonds8

About N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine

N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 64800508) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID64800508
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCCC(CC)n1ccc(CNCCN2CCCC2)n1
InChIInChI=1S/C15H28N4/c1-3-15(4-2)19-11-7-14(17-19)13-16-8-12-18-9-5-6-10-18/h7,11,15-16H,3-6,8-10,12-13H2,1-2H3
InChIKeyVRBGBGLIYJVCTF-UHFFFAOYSA-N
XLogP2.43
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 78920944
2-(4-methylpyrazol-1-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 103825944
2-(4-fluorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 64800428
N-[2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]ethyl]methanesulfonamide
CID 64801421
3-[2-[(1-pentan-3-ylpyrazol-3-yl)methylamino]ethylsulfanyl]propan-1-ol
CID 106310130
5-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pentanamide
CID 106236870
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
CID 64800474
1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine
CID 64800483
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pent-1-yn-3-amine
CID 114161157
3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64801245
2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708858
N-[(5-ethylthiophen-2-yl)methyl]-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
CID 106010807

Frequently Asked Questions

What is the IUPAC name of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine (CID 64800508) is N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine is CCC(CC)n1ccc(CNCCN2CCCC2)n1.
What is the InChIKey of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is VRBGBGLIYJVCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-15(4-2)19-11-7-14(17-19)13-16-8-12-18-9-5-6-10-18/h7,11,15-16H,3-6,8-10,12-13H2,1-2H3.
What are the key properties of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine?
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 264.42 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 64800508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).