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

C16H22N4 — CID 64799108

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine
SMILESCC(NCc1ccn(C2CCCC2)n1)c1cccnc1
InChIInChI=1S/C16H22N4/c1-13(14-5-4-9-17-11-14)18-12-15-8-10-20(19-15)16-6-2-3-7-16/h4-5,8-11,13,16,18H,2-3,6-7,12H2,1H3
InChIKeyXZHLTGJTGVHDLO-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.24
Rot. Bonds5

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

N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 64799108) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine
PubChem CID64799108
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine
SMILESCC(NCc1ccn(C2CCCC2)n1)c1cccnc1
InChIInChI=1S/C16H22N4/c1-13(14-5-4-9-17-11-14)18-12-15-8-10-20(19-15)16-6-2-3-7-16/h4-5,8-11,13,16,18H,2-3,6-7,12H2,1H3
InChIKeyXZHLTGJTGVHDLO-UHFFFAOYSA-N
XLogP3.24
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 64799138
2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-pyridin-3-ylethanamine
CID 64786076
N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
CID 19625592
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 64800466
N-(pyrazin-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62762497
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-pyridin-3-ylethanamine
CID 64800659
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methoxypropan-2-amine
CID 64800620
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 64801249
2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide
CID 64800847
N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 79979049
methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate
CID 64800870

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine (CID 64799108) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine is CC(NCc1ccn(C2CCCC2)n1)c1cccnc1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is XZHLTGJTGVHDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13(14-5-4-9-17-11-14)18-12-15-8-10-20(19-15)16-6-2-3-7-16/h4-5,8-11,13,16,18H,2-3,6-7,12H2,1H3.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.24, 5 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]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 64799108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).