2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine

C17H30BrN3 — CID 105000202

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
SMILESCNC(Cc1c(Br)c(C)nn1C)C1(CC(C)C)CCCC1
InChIInChI=1S/C17H30BrN3/c1-12(2)11-17(8-6-7-9-17)15(19-4)10-14-16(18)13(3)20-21(14)5/h12,15,19H,6-11H2,1-5H3
InChIKeyHQBUANASTYWENY-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.23
Rot. Bonds6

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine (PubChem CID 105000202) has the molecular formula C17H30BrN3 and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
PubChem CID105000202
Molecular FormulaC17H30BrN3
Molecular Weight356.35 g/mol
Exact Mass355.16
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
SMILESCNC(Cc1c(Br)c(C)nn1C)C1(CC(C)C)CCCC1
InChIInChI=1S/C17H30BrN3/c1-12(2)11-17(8-6-7-9-17)15(19-4)10-14-16(18)13(3)20-21(14)5/h12,15,19H,6-11H2,1-5H3
InChIKeyHQBUANASTYWENY-UHFFFAOYSA-N
XLogP4.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448231
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107189630
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105161027
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066422
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine
CID 79058069
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N,3-dimethylhexan-2-amine
CID 105000170
4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole
CID 66049822
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105160975
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanamine
CID 116761546
2-(4-bromothiophen-2-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115847589
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-ethoxycycloheptyl)ethanol
CID 116756067
2-(4-ethylphenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115802983

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine (CID 105000202) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine is CNC(Cc1c(Br)c(C)nn1C)C1(CC(C)C)CCCC1.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The InChIKey is HQBUANASTYWENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrN3/c1-12(2)11-17(8-6-7-9-17)15(19-4)10-14-16(18)13(3)20-21(14)5/h12,15,19H,6-11H2,1-5H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine has a molecular weight of 356.35 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine is sourced from PubChem (CID 105000202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).