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

C16H21N3 — CID 64784526

IUPAC2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
SMILESNC(Cc1ccn(C2CCCC2)n1)c1ccccc1
InChIInChI=1S/C16H21N3/c17-16(13-6-2-1-3-7-13)12-14-10-11-19(18-14)15-8-4-5-9-15/h1-3,6-7,10-11,15-16H,4-5,8-9,12,17H2
InChIKeyIRTDIOCGUUDRID-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.24
Rot. Bonds4

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

2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine (PubChem CID 64784526) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
PubChem CID64784526
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
SMILESNC(Cc1ccn(C2CCCC2)n1)c1ccccc1
InChIInChI=1S/C16H21N3/c17-16(13-6-2-1-3-7-13)12-14-10-11-19(18-14)15-8-4-5-9-15/h1-3,6-7,10-11,15-16H,4-5,8-9,12,17H2
InChIKeyIRTDIOCGUUDRID-UHFFFAOYSA-N
XLogP3.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopentylpyrazol-3-yl)-1-(3-methylphenyl)ethanamine
CID 64784709
1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 64784343
2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine
CID 64785678
2-(1-cyclopentylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethanamine
CID 104994002
2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923483
2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine
CID 79515283
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777224
2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dichlorophenyl)ethanamine
CID 104994021
1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 104993935
2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64785885
1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 66426264
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine (CID 64784526) is 2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine is NC(Cc1ccn(C2CCCC2)n1)c1ccccc1.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine?
The InChIKey is IRTDIOCGUUDRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c17-16(13-6-2-1-3-7-13)12-14-10-11-19(18-14)15-8-4-5-9-15/h1-3,6-7,10-11,15-16H,4-5,8-9,12,17H2.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine?
2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine has a molecular weight of 255.37 g/mol, XLogP of 3.24, 4 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)-1-phenylethanamine is sourced from PubChem (CID 64784526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).