2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine

C17H23N3 — CID 64777224

IUPAC2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine
SMILESCNC(Cc1ccn(C2CCCC2)n1)c1ccccc1
InChIInChI=1S/C17H23N3/c1-18-17(14-7-3-2-4-8-14)13-15-11-12-20(19-15)16-9-5-6-10-16/h2-4,7-8,11-12,16-18H,5-6,9-10,13H2,1H3
InChIKeyAGHCJDVIWBNIKY-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.50
Rot. Bonds5

About 2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine

2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine (PubChem CID 64777224) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine
PubChem CID64777224
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine
SMILESCNC(Cc1ccn(C2CCCC2)n1)c1ccccc1
InChIInChI=1S/C17H23N3/c1-18-17(14-7-3-2-4-8-14)13-15-11-12-20(19-15)16-9-5-6-10-16/h2-4,7-8,11-12,16-18H,5-6,9-10,13H2,1H3
InChIKeyAGHCJDVIWBNIKY-UHFFFAOYSA-N
XLogP3.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopentylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylethanamine
CID 64785855
2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-pyridin-3-ylethanamine
CID 64786076
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105157078
2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
CID 64784526
2-(1-cyclohexylpyrazol-3-yl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107975620
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105157013
2-(1-cyclopentylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105157026
3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516696
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107189365
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-pyrimidin-2-ylethanamine
CID 64778210
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine (CID 64777224) is 2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine is CNC(Cc1ccn(C2CCCC2)n1)c1ccccc1.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine?
The InChIKey is AGHCJDVIWBNIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-18-17(14-7-3-2-4-8-14)13-15-11-12-20(19-15)16-9-5-6-10-16/h2-4,7-8,11-12,16-18H,5-6,9-10,13H2,1H3.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine?
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine is sourced from PubChem (CID 64777224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).