2-(1-cyclopentylpyrazol-3-yl)-1-(3-methylphenyl)ethanamine

C17H23N3 — CID 64784709

IUPAC2-(1-cyclopentylpyrazol-3-yl)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(N)Cc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C17H23N3/c1-13-5-4-6-14(11-13)17(18)12-15-9-10-20(19-15)16-7-2-3-8-16/h4-6,9-11,16-17H,2-3,7-8,12,18H2,1H3
InChIKeyAZRJBCZGJPQLIJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.55
Rot. Bonds4

About 2-(1-cyclopentylpyrazol-3-yl)-1-(3-methylphenyl)ethanamine

2-(1-cyclopentylpyrazol-3-yl)-1-(3-methylphenyl)ethanamine (PubChem CID 64784709) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-1-(3-methylphenyl)ethanamine
PubChem CID64784709
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(N)Cc2ccn(C3CCCC3)n2)c1
InChIInChI=1S/C17H23N3/c1-13-5-4-6-14(11-13)17(18)12-15-9-10-20(19-15)16-7-2-3-8-16/h4-6,9-11,16-17H,2-3,7-8,12,18H2,1H3
InChIKeyAZRJBCZGJPQLIJ-UHFFFAOYSA-N
XLogP3.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 64784343
2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
CID 64784526
2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine
CID 64785678
2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64785885
1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 104993935
2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine
CID 79515283
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-(2,3-dichlorophenyl)ethanamine
CID 104994021
1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 66426264
2-(1-cyclohexylpyrazol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 104987859
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-(3-methylphenyl)ethanamine?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(3-methylphenyl)ethanamine (CID 64784709) is 2-(1-cyclopentylpyrazol-3-yl)-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-1-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-1-(3-methylphenyl)ethanamine is Cc1cccc(C(N)Cc2ccn(C3CCCC3)n2)c1.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-1-(3-methylphenyl)ethanamine?
The InChIKey is AZRJBCZGJPQLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-5-4-6-14(11-13)17(18)12-15-9-10-20(19-15)16-7-2-3-8-16/h4-6,9-11,16-17H,2-3,7-8,12,18H2,1H3.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-1-(3-methylphenyl)ethanamine?
2-(1-cyclopentylpyrazol-3-yl)-1-(3-methylphenyl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.55, 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-(3-methylphenyl)ethanamine is sourced from PubChem (CID 64784709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).