[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methanamine

C16H28BrN3 — CID 81012327

IUPAC[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methanamine
SMILESCCc1nn(C)c(CC2CC(CC)CCC2CN)c1Br
InChIInChI=1S/C16H28BrN3/c1-4-11-6-7-12(10-18)13(8-11)9-15-16(17)14(5-2)19-20(15)3/h11-13H,4-10,18H2,1-3H3
InChIKeyNKGPZNYIGIQUIY-UHFFFAOYSA-N
MW342.33 g/mol
LogP3.69
Rot. Bonds5

About [2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methanamine

[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methanamine (PubChem CID 81012327) has the molecular formula C16H28BrN3 and a molecular weight of 342.33 g/mol. Its IUPAC name is [2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methanamine
PubChem CID81012327
Molecular FormulaC16H28BrN3
Molecular Weight342.33 g/mol
Exact Mass341.15
IUPAC Name[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methanamine
SMILESCCc1nn(C)c(CC2CC(CC)CCC2CN)c1Br
InChIInChI=1S/C16H28BrN3/c1-4-11-6-7-12(10-18)13(8-11)9-15-16(17)14(5-2)19-20(15)3/h11-13H,4-10,18H2,1-3H3
InChIKeyNKGPZNYIGIQUIY-UHFFFAOYSA-N
XLogP3.69
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 81034972
[4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine
CID 81012010
[4-ethyl-2-[(1-methylindazol-3-yl)methyl]cyclohexyl]methanamine
CID 81011684
[2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cycloheptyl]methanamine
CID 81011059
4-bromo-5-(bromomethyl)-3-ethyl-1-methylpyrazole
CID 81223578
4-bromo-5-[(4-bromothiolan-3-yl)methyl]-3-ethyl-1-methylpyrazole
CID 83190191
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylcyclohexyl)ethyl]hydrazine
CID 105231495
[2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 81012573
3-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-amine
CID 83148626
1-[2-(aminomethyl)cyclopentyl]-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116584424
4-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]azepane
CID 83262137
3-bromo-8-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-8-azabicyclo[3.2.1]octane
CID 80669499

Frequently Asked Questions

What is the IUPAC name of [2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methanamine?
The IUPAC name of [2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methanamine (CID 81012327) is [2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methanamine is CCc1nn(C)c(CC2CC(CC)CCC2CN)c1Br.
What is the InChIKey of [2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methanamine?
The InChIKey is NKGPZNYIGIQUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BrN3/c1-4-11-6-7-12(10-18)13(8-11)9-15-16(17)14(5-2)19-20(15)3/h11-13H,4-10,18H2,1-3H3.
What are the key properties of [2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methanamine?
[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-4-ethylcyclohexyl]methanamine has a molecular weight of 342.33 g/mol, XLogP of 3.69, 5 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)methyl]-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 81012327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).