4-bromo-5-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole

C12H18Br2N2O — CID 114662598

IUPAC4-bromo-5-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole
SMILESCOCCn1ncc(Br)c1C1CCCCC1Br
InChIInChI=1S/C12H18Br2N2O/c1-17-7-6-16-12(11(14)8-15-16)9-4-2-3-5-10(9)13/h8-10H,2-7H2,1H3
InChIKeyABWKWVSLZUAYFM-UHFFFAOYSA-N
MW366.10 g/mol
LogP3.71
Rot. Bonds4

About 4-bromo-5-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole

4-bromo-5-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole (PubChem CID 114662598) has the molecular formula C12H18Br2N2O and a molecular weight of 366.10 g/mol. Its IUPAC name is 4-bromo-5-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-5-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole
PubChem CID114662598
Molecular FormulaC12H18Br2N2O
Molecular Weight366.10 g/mol
Exact Mass363.98
IUPAC Name4-bromo-5-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole
SMILESCOCCn1ncc(Br)c1C1CCCCC1Br
InChIInChI=1S/C12H18Br2N2O/c1-17-7-6-16-12(11(14)8-15-16)9-4-2-3-5-10(9)13/h8-10H,2-7H2,1H3
InChIKeyABWKWVSLZUAYFM-UHFFFAOYSA-N
XLogP3.71
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.10
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole
CID 114662597
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol
CID 114662410
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylcyclohexan-1-amine
CID 114662846
4-bromo-5-(2-chlorocyclopentyl)-1-(2-methoxyethyl)pyrazole
CID 114662548
1-[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cycloheptyl]-N-methylmethanamine
CID 114667326
2-[5-(2-bromocyclohexyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114662602
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-cyclopentyl-N-methylmethanamine
CID 114648229
[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylcyclohexyl]methanamine
CID 114666641
7-bicyclo[4.1.0]heptanyl-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115835832
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-cyclobutylmethanol
CID 114637094
4-bromo-5-(2-chlorocycloheptyl)-1-propylpyrazole
CID 114662563
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylpiperidine
CID 114663304

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole?
The IUPAC name of 4-bromo-5-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole (CID 114662598) is 4-bromo-5-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole.
What is the SMILES notation for 4-bromo-5-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole?
The canonical SMILES for 4-bromo-5-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole is COCCn1ncc(Br)c1C1CCCCC1Br.
What is the InChIKey of 4-bromo-5-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole?
The InChIKey is ABWKWVSLZUAYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N2O/c1-17-7-6-16-12(11(14)8-15-16)9-4-2-3-5-10(9)13/h8-10H,2-7H2,1H3.
What are the key properties of 4-bromo-5-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole?
4-bromo-5-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole has a molecular weight of 366.10 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole is sourced from PubChem (CID 114662598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).