N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine

C16H22N4 — CID 64800466

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
SMILESc1cncc(CCNCc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C16H22N4/c1-2-6-16(5-1)20-11-8-15(19-20)13-18-10-7-14-4-3-9-17-12-14/h3-4,8-9,11-12,16,18H,1-2,5-7,10,13H2
InChIKeyVVZXPGAHNNWXDU-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.73
Rot. Bonds6

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine (PubChem CID 64800466) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
PubChem CID64800466
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
SMILESc1cncc(CCNCc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C16H22N4/c1-2-6-16(5-1)20-11-8-15(19-20)13-18-10-7-14-4-3-9-17-12-14/h3-4,8-9,11-12,16,18H,1-2,5-7,10,13H2
InChIKeyVVZXPGAHNNWXDU-UHFFFAOYSA-N
XLogP2.73
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.73
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-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 64800659
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 64801659
N-[(1-methylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 78921214
1-(1-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one
CID 105107258
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine
CID 64801637
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 64799852
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 64800285
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-(furan-2-yl)ethanamine
CID 64799703
1-(1-cyclohexylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-one
CID 64783174
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 64799108
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine (CID 64800466) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine is c1cncc(CCNCc2ccn(C3CCCC3)n2)c1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine?
The InChIKey is VVZXPGAHNNWXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-6-16(5-1)20-11-8-15(19-20)13-18-10-7-14-4-3-9-17-12-14/h3-4,8-9,11-12,16,18H,1-2,5-7,10,13H2.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine has a molecular weight of 270.38 g/mol, XLogP of 2.73, 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]-2-pyridin-3-ylethanamine is sourced from PubChem (CID 64800466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).