N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine

C15H27N3 — CID 64801820

IUPACN-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine
SMILESCCC(C)n1ccc(CNCCC2CCCC2)n1
InChIInChI=1S/C15H27N3/c1-3-13(2)18-11-9-15(17-18)12-16-10-8-14-6-4-5-7-14/h9,11,13-14,16H,3-8,10,12H2,1-2H3
InChIKeyAWBSMTAHJZGZPZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.52
Rot. Bonds7

About N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine (PubChem CID 64801820) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine.

Molecular Properties

Compound NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine
PubChem CID64801820
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine
SMILESCCC(C)n1ccc(CNCCC2CCCC2)n1
InChIInChI=1S/C15H27N3/c1-3-13(2)18-11-9-15(17-18)12-16-10-8-14-6-4-5-7-14/h9,11,13-14,16H,3-8,10,12H2,1-2H3
InChIKeyAWBSMTAHJZGZPZ-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
CID 64799314
[1-(1-butan-2-ylpyrazol-3-yl)-4-cyclohexylbutan-2-yl]hydrazine
CID 105312574
(1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine
CID 81385024
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 64799883
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 64800314
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
CID 64800468
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(chloromethyl)cyclohexan-1-amine
CID 112752753
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 64799338
3-[(3-bromocycloheptyl)methyl]-1-butan-2-ylpyrazole
CID 64778953
[2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine
CID 105255154
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114616836

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine?
The IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine (CID 64801820) is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine.
What is the SMILES notation for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine?
The canonical SMILES for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine is CCC(C)n1ccc(CNCCC2CCCC2)n1.
What is the InChIKey of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine?
The InChIKey is AWBSMTAHJZGZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-13(2)18-11-9-15(17-18)12-16-10-8-14-6-4-5-7-14/h9,11,13-14,16H,3-8,10,12H2,1-2H3.
What are the key properties of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine?
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-cyclopentylethanamine is sourced from PubChem (CID 64801820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).