N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine

C17H30N4 — CID 106632392

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccn(C2CCCC2)n1)CC1CCCCN1
InChIInChI=1S/C17H30N4/c1-2-20(13-15-7-5-6-11-18-15)14-16-10-12-21(19-16)17-8-3-4-9-17/h10,12,15,17-18H,2-9,11,13-14H2,1H3
InChIKeyMEIUABPGLIUXRI-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.96
Rot. Bonds6

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine

N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 106632392) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID106632392
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccn(C2CCCC2)n1)CC1CCCCN1
InChIInChI=1S/C17H30N4/c1-2-20(13-15-7-5-6-11-18-15)14-16-10-12-21(19-16)17-8-3-4-9-17/h10,12,15,17-18H,2-9,11,13-14H2,1H3
InChIKeyMEIUABPGLIUXRI-UHFFFAOYSA-N
XLogP2.96
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614482
N'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine
CID 64800217
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine
CID 64801182
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
1-cyclohexyl-3-ethylpyrazole
CID 66014335
N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819441
2-[(1-butan-2-ylpyrazol-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618052
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616724
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603593
N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603290

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine (CID 106632392) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine is CCN(Cc1ccn(C2CCCC2)n1)CC1CCCCN1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is MEIUABPGLIUXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-2-20(13-15-7-5-6-11-18-15)14-16-10-12-21(19-16)17-8-3-4-9-17/h10,12,15,17-18H,2-9,11,13-14H2,1H3.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine has a molecular weight of 290.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106632392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).