2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dichlorophenyl)ethanamine

C16H19Cl2N3 — CID 104994021

IUPAC2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dichlorophenyl)ethanamine
SMILESNC(Cc1ccn(C2CCCC2)n1)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H19Cl2N3/c17-14-7-3-6-13(16(14)18)15(19)10-11-8-9-21(20-11)12-4-1-2-5-12/h3,6-9,12,15H,1-2,4-5,10,19H2
InChIKeyUNRQYBQCBQVUJK-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.55
Rot. Bonds4

About 2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dichlorophenyl)ethanamine

2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dichlorophenyl)ethanamine (PubChem CID 104994021) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dichlorophenyl)ethanamine
PubChem CID104994021
Molecular FormulaC16H19Cl2N3
Molecular Weight324.26 g/mol
Exact Mass323.10
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dichlorophenyl)ethanamine
SMILESNC(Cc1ccn(C2CCCC2)n1)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H19Cl2N3/c17-14-7-3-6-13(16(14)18)15(19)10-11-8-9-21(20-11)12-4-1-2-5-12/h3,6-9,12,15H,1-2,4-5,10,19H2
InChIKeyUNRQYBQCBQVUJK-UHFFFAOYSA-N
XLogP4.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 104994013
2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine
CID 79515283
2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
CID 64784526
1-(3-chloro-2-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 64785666
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-cyclohexylpyrazol-3-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 104987859
2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923483
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dichlorophenyl)ethanamine?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dichlorophenyl)ethanamine (CID 104994021) is 2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dichlorophenyl)ethanamine is NC(Cc1ccn(C2CCCC2)n1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dichlorophenyl)ethanamine?
The InChIKey is UNRQYBQCBQVUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c17-14-7-3-6-13(16(14)18)15(19)10-11-8-9-21(20-11)12-4-1-2-5-12/h3,6-9,12,15H,1-2,4-5,10,19H2.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dichlorophenyl)ethanamine?
2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dichlorophenyl)ethanamine has a molecular weight of 324.26 g/mol, XLogP of 4.55, 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-(2,3-dichlorophenyl)ethanamine is sourced from PubChem (CID 104994021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).