1-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine

C15H28N4 — CID 64801541

IUPAC1-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine
SMILESCCNC1CCN(Cc2ccn(C(C)CC)n2)CC1
InChIInChI=1S/C15H28N4/c1-4-13(3)19-11-8-15(17-19)12-18-9-6-14(7-10-18)16-5-2/h8,11,13-14,16H,4-7,9-10,12H2,1-3H3
InChIKeyJXGLFJQHYKTZBM-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.43
Rot. Bonds6

About 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine

1-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine (PubChem CID 64801541) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine
PubChem CID64801541
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine
SMILESCCNC1CCN(Cc2ccn(C(C)CC)n2)CC1
InChIInChI=1S/C15H28N4/c1-4-13(3)19-11-8-15(17-19)12-18-9-6-14(7-10-18)16-5-2/h8,11,13-14,16H,4-7,9-10,12H2,1-3H3
InChIKeyJXGLFJQHYKTZBM-UHFFFAOYSA-N
XLogP2.43
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

Analyze 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 66291137
3-[(3-bromopyrrolidin-1-yl)methyl]-1-butan-2-ylpyrazole
CID 80676536
4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine
CID 79116958
1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine
CID 64801540
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 81116268
3-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1-butan-2-ylpyrazole
CID 80691044
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 64785329
N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905844
2-[4-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazin-1-yl]propanoic acid
CID 64785581
N-ethyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
CID 81178472
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 64785002
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 65194729

Frequently Asked Questions

What is the IUPAC name of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine?
The IUPAC name of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine (CID 64801541) is 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine.
What is the SMILES notation for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine?
The canonical SMILES for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine is CCNC1CCN(Cc2ccn(C(C)CC)n2)CC1.
What is the InChIKey of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine?
The InChIKey is JXGLFJQHYKTZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-13(3)19-11-8-15(17-19)12-18-9-6-14(7-10-18)16-5-2/h8,11,13-14,16H,4-7,9-10,12H2,1-3H3.
What are the key properties of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine?
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine has a molecular weight of 264.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine is sourced from PubChem (CID 64801541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).