2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine

C17H30BrN3 — CID 106830227

IUPAC2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
SMILESCCNC(Cc1c(Br)c(CC)nn1C)C1(C)CCCCC1
InChIInChI=1S/C17H30BrN3/c1-5-13-16(18)14(21(4)20-13)12-15(19-6-2)17(3)10-8-7-9-11-17/h15,19H,5-12H2,1-4H3
InChIKeyDMMQJBCFTHUHCZ-UHFFFAOYSA-N
MW356.35 g/mol
LogP4.24
Rot. Bonds6

About 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine

2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine (PubChem CID 106830227) has the molecular formula C17H30BrN3 and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
PubChem CID106830227
Molecular FormulaC17H30BrN3
Molecular Weight356.35 g/mol
Exact Mass355.16
IUPAC Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine
SMILESCCNC(Cc1c(Br)c(CC)nn1C)C1(C)CCCCC1
InChIInChI=1S/C17H30BrN3/c1-5-13-16(18)14(21(4)20-13)12-15(19-6-2)17(3)10-8-7-9-11-17/h15,19H,5-12H2,1-4H3
InChIKeyDMMQJBCFTHUHCZ-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 103451661
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 105276077
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-ethyl-1-(1-methylcyclopentyl)ethanamine
CID 104998298
N-[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylthiolan-2-yl)ethyl]propan-1-amine
CID 105157626
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycyclobutyl)ethyl]hydrazine
CID 105270399
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-ethoxy-N-ethylbutan-2-amine
CID 105157642
N-ethyl-2-(1H-imidazol-2-yl)-1-(1-methylcyclohexyl)ethanamine
CID 106826923
4-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81019761
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253505
3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569735
4-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81017466
N-[[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66024880

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine (CID 106830227) is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine is CCNC(Cc1c(Br)c(CC)nn1C)C1(C)CCCCC1.
What is the InChIKey of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine?
The InChIKey is DMMQJBCFTHUHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrN3/c1-5-13-16(18)14(21(4)20-13)12-15(19-6-2)17(3)10-8-7-9-11-17/h15,19H,5-12H2,1-4H3.
What are the key properties of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine?
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine has a molecular weight of 356.35 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(1-methylcyclohexyl)ethanamine is sourced from PubChem (CID 106830227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).