5-(2-bromocyclohexyl)-4-chloro-1-methylpyrazole

C10H14BrClN2 — CID 114662586

IUPAC5-(2-bromocyclohexyl)-4-chloro-1-methylpyrazole
SMILESCn1ncc(Cl)c1C1CCCCC1Br
InChIInChI=1S/C10H14BrClN2/c1-14-10(9(12)6-13-14)7-4-2-3-5-8(7)11/h6-8H,2-5H2,1H3
InChIKeyOFFWRSDHBGSPMU-UHFFFAOYSA-N
MW277.59 g/mol
LogP3.49
Rot. Bonds1

About 5-(2-bromocyclohexyl)-4-chloro-1-methylpyrazole

5-(2-bromocyclohexyl)-4-chloro-1-methylpyrazole (PubChem CID 114662586) has the molecular formula C10H14BrClN2 and a molecular weight of 277.59 g/mol. Its IUPAC name is 5-(2-bromocyclohexyl)-4-chloro-1-methylpyrazole.

Molecular Properties

Compound Name5-(2-bromocyclohexyl)-4-chloro-1-methylpyrazole
PubChem CID114662586
Molecular FormulaC10H14BrClN2
Molecular Weight277.59 g/mol
Exact Mass276.00
IUPAC Name5-(2-bromocyclohexyl)-4-chloro-1-methylpyrazole
SMILESCn1ncc(Cl)c1C1CCCCC1Br
InChIInChI=1S/C10H14BrClN2/c1-14-10(9(12)6-13-14)7-4-2-3-5-8(7)11/h6-8H,2-5H2,1H3
InChIKeyOFFWRSDHBGSPMU-UHFFFAOYSA-N
XLogP3.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.59
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclohexan-1-amine
CID 114662862
4-bromo-5-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole
CID 114662598
4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole
CID 114662597
4-bromo-5-(2-chlorocycloheptyl)-1-methylpyrazole
CID 114662559
4-chloro-5-(3-chlorocyclohexyl)-1-methylpyrazole
CID 114665220
2-[5-(2-bromocyclohexyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114662602
3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylcyclopentan-1-amine
CID 114664100
N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 114667485
N-[[2-(4-chloro-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
CID 114667577
1-[2-(4-bromo-1-methylpyrazol-5-yl)cyclohexyl]-N-methylmethanamine
CID 114667200
2-(4-bromo-1-methylpyrazol-5-yl)-N-methylcyclopentan-1-amine
CID 114662893
4-bromo-5-(3-chlorocycloheptyl)-1-methylpyrazole
CID 114665249

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromocyclohexyl)-4-chloro-1-methylpyrazole?
The IUPAC name of 5-(2-bromocyclohexyl)-4-chloro-1-methylpyrazole (CID 114662586) is 5-(2-bromocyclohexyl)-4-chloro-1-methylpyrazole.
What is the SMILES notation for 5-(2-bromocyclohexyl)-4-chloro-1-methylpyrazole?
The canonical SMILES for 5-(2-bromocyclohexyl)-4-chloro-1-methylpyrazole is Cn1ncc(Cl)c1C1CCCCC1Br.
What is the InChIKey of 5-(2-bromocyclohexyl)-4-chloro-1-methylpyrazole?
The InChIKey is OFFWRSDHBGSPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2/c1-14-10(9(12)6-13-14)7-4-2-3-5-8(7)11/h6-8H,2-5H2,1H3.
What are the key properties of 5-(2-bromocyclohexyl)-4-chloro-1-methylpyrazole?
5-(2-bromocyclohexyl)-4-chloro-1-methylpyrazole has a molecular weight of 277.59 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromocyclohexyl)-4-chloro-1-methylpyrazole is sourced from PubChem (CID 114662586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).