[2-(4-bromo-1-ethylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methanamine

C14H24BrN3 — CID 114666692

IUPAC[2-(4-bromo-1-ethylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methanamine
SMILESCCn1ncc(Br)c1C1CC(C)(C)CCC1CN
InChIInChI=1S/C14H24BrN3/c1-4-18-13(12(15)9-17-18)11-7-14(2,3)6-5-10(11)8-16/h9-11H,4-8,16H2,1-3H3
InChIKeyJZWUSZMHFBLDQP-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.53
Rot. Bonds3

About [2-(4-bromo-1-ethylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methanamine

[2-(4-bromo-1-ethylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methanamine (PubChem CID 114666692) has the molecular formula C14H24BrN3 and a molecular weight of 314.27 g/mol. Its IUPAC name is [2-(4-bromo-1-ethylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(4-bromo-1-ethylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methanamine
PubChem CID114666692
Molecular FormulaC14H24BrN3
Molecular Weight314.27 g/mol
Exact Mass313.12
IUPAC Name[2-(4-bromo-1-ethylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methanamine
SMILESCCn1ncc(Br)c1C1CC(C)(C)CCC1CN
InChIInChI=1S/C14H24BrN3/c1-4-18-13(12(15)9-17-18)11-7-14(2,3)6-5-10(11)8-16/h9-11H,4-8,16H2,1-3H3
InChIKeyJZWUSZMHFBLDQP-UHFFFAOYSA-N
XLogP3.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methanamine
CID 81012812
1-[2-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 114667553
2-(4-bromo-1-ethylpyrazol-5-yl)-4-methylcyclohexan-1-amine
CID 114666425
N-[[2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methyl]ethanamine
CID 114667559
[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methanamine
CID 81012513
[2-(1-ethylimidazol-2-yl)-4,4-dimethylcyclohexyl]methanamine
CID 81012620
[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 81012067
2-[5-[2-(aminomethyl)cyclohexyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114666566
1-[2-(4-bromo-1-ethylpyrazol-5-yl)cyclopentyl]-N-methylmethanamine
CID 114667101
2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine
CID 114666406
[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylcyclohexyl]methanamine
CID 114666641
[4,4-dimethyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methanamine
CID 113297409

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-1-ethylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methanamine?
The IUPAC name of [2-(4-bromo-1-ethylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methanamine (CID 114666692) is [2-(4-bromo-1-ethylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [2-(4-bromo-1-ethylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methanamine?
The canonical SMILES for [2-(4-bromo-1-ethylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methanamine is CCn1ncc(Br)c1C1CC(C)(C)CCC1CN.
What is the InChIKey of [2-(4-bromo-1-ethylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methanamine?
The InChIKey is JZWUSZMHFBLDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3/c1-4-18-13(12(15)9-17-18)11-7-14(2,3)6-5-10(11)8-16/h9-11H,4-8,16H2,1-3H3.
What are the key properties of [2-(4-bromo-1-ethylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methanamine?
[2-(4-bromo-1-ethylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methanamine has a molecular weight of 314.27 g/mol, XLogP of 3.53, 3 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)-4,4-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 114666692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).