2-(4-bromo-1-ethylpyrazol-5-yl)-4-methylcyclohexan-1-amine

C12H20BrN3 — CID 114666425

IUPAC2-(4-bromo-1-ethylpyrazol-5-yl)-4-methylcyclohexan-1-amine
SMILESCCn1ncc(Br)c1C1CC(C)CCC1N
InChIInChI=1S/C12H20BrN3/c1-3-16-12(10(13)7-15-16)9-6-8(2)4-5-11(9)14/h7-9,11H,3-6,14H2,1-2H3
InChIKeyWMEWKVHLWQUMGP-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.90
Rot. Bonds2

About 2-(4-bromo-1-ethylpyrazol-5-yl)-4-methylcyclohexan-1-amine

2-(4-bromo-1-ethylpyrazol-5-yl)-4-methylcyclohexan-1-amine (PubChem CID 114666425) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 2-(4-bromo-1-ethylpyrazol-5-yl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-bromo-1-ethylpyrazol-5-yl)-4-methylcyclohexan-1-amine
PubChem CID114666425
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name2-(4-bromo-1-ethylpyrazol-5-yl)-4-methylcyclohexan-1-amine
SMILESCCn1ncc(Br)c1C1CC(C)CCC1N
InChIInChI=1S/C12H20BrN3/c1-3-16-12(10(13)7-15-16)9-6-8(2)4-5-11(9)14/h7-9,11H,3-6,14H2,1-2H3
InChIKeyWMEWKVHLWQUMGP-UHFFFAOYSA-N
XLogP2.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylcyclohexan-1-amine
CID 114666430
2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine
CID 114666406
[2-(4-bromo-1-ethylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methanamine
CID 114666692
2-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcyclohexan-1-amine
CID 114666458
1-[2-(4-bromo-1-ethylpyrazol-5-yl)cyclopentyl]-N-methylmethanamine
CID 114667101
N-[[2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-4-methylcyclohexyl]methyl]ethanamine
CID 114667403
N-[[2-(4-chloro-1-ethylpyrazol-5-yl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 114667419
4-bromo-1-ethyl-5-pyrrolidin-2-ylpyrazole
CID 114663184
4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole
CID 114662597
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655683
N-[[2-(4-bromo-1-propylpyrazol-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 114666964
4-bromo-5-(2-chlorocycloheptyl)-1-propylpyrazole
CID 114662563

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-ethylpyrazol-5-yl)-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(4-bromo-1-ethylpyrazol-5-yl)-4-methylcyclohexan-1-amine (CID 114666425) is 2-(4-bromo-1-ethylpyrazol-5-yl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-bromo-1-ethylpyrazol-5-yl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(4-bromo-1-ethylpyrazol-5-yl)-4-methylcyclohexan-1-amine is CCn1ncc(Br)c1C1CC(C)CCC1N.
What is the InChIKey of 2-(4-bromo-1-ethylpyrazol-5-yl)-4-methylcyclohexan-1-amine?
The InChIKey is WMEWKVHLWQUMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-3-16-12(10(13)7-15-16)9-6-8(2)4-5-11(9)14/h7-9,11H,3-6,14H2,1-2H3.
What are the key properties of 2-(4-bromo-1-ethylpyrazol-5-yl)-4-methylcyclohexan-1-amine?
2-(4-bromo-1-ethylpyrazol-5-yl)-4-methylcyclohexan-1-amine has a molecular weight of 286.22 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-ethylpyrazol-5-yl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 114666425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).