1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine

C17H22BrN3 — CID 104993935

IUPAC1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
SMILESCc1ccc(C(N)Cc2ccn(C3CCCC3)n2)cc1Br
InChIInChI=1S/C17H22BrN3/c1-12-6-7-13(10-16(12)18)17(19)11-14-8-9-21(20-14)15-4-2-3-5-15/h6-10,15,17H,2-5,11,19H2,1H3
InChIKeyAVXFTWZTYKRBPA-UHFFFAOYSA-N
MW348.29 g/mol
LogP4.31
Rot. Bonds4

About 1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine

1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine (PubChem CID 104993935) has the molecular formula C17H22BrN3 and a molecular weight of 348.29 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
PubChem CID104993935
Molecular FormulaC17H22BrN3
Molecular Weight348.29 g/mol
Exact Mass347.10
IUPAC Name1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
SMILESCc1ccc(C(N)Cc2ccn(C3CCCC3)n2)cc1Br
InChIInChI=1S/C17H22BrN3/c1-12-6-7-13(10-16(12)18)17(19)11-14-8-9-21(20-14)15-4-2-3-5-15/h6-10,15,17H,2-5,11,19H2,1H3
InChIKeyAVXFTWZTYKRBPA-UHFFFAOYSA-N
XLogP4.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64785885
2-(1-cyclopentylpyrazol-3-yl)-1-(3-methylphenyl)ethanamine
CID 64784709
1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 64784343
2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
CID 64784526
2-(1-cyclopentylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethanamine
CID 104994002
1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 66426264
2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine
CID 64785678
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923483
1-(5-bromofuran-2-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 104993969
1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 104987894
1-(4-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 64777846

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine (CID 104993935) is 1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine is Cc1ccc(C(N)Cc2ccn(C3CCCC3)n2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine?
The InChIKey is AVXFTWZTYKRBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3/c1-12-6-7-13(10-16(12)18)17(19)11-14-8-9-21(20-14)15-4-2-3-5-15/h6-10,15,17H,2-5,11,19H2,1H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine?
1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine has a molecular weight of 348.29 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104993935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).