5-bromo-3-chloro-1-(2-cyclohexyl-5-methylphenyl)pyrazole

C16H18BrClN2 — CID 173107422

IUPAC5-bromo-3-chloro-1-(2-cyclohexyl-5-methylphenyl)pyrazole
SMILESCc1ccc(C2CCCCC2)c(-n2nc(Cl)cc2Br)c1
InChIInChI=1S/C16H18BrClN2/c1-11-7-8-13(12-5-3-2-4-6-12)14(9-11)20-15(17)10-16(18)19-20/h7-10,12H,2-6H2,1H3
InChIKeyIHZBDSSHPOIMJA-UHFFFAOYSA-N
MW353.69 g/mol
LogP5.64
Rot. Bonds2

About 5-bromo-3-chloro-1-(2-cyclohexyl-5-methylphenyl)pyrazole

5-bromo-3-chloro-1-(2-cyclohexyl-5-methylphenyl)pyrazole (PubChem CID 173107422) has the molecular formula C16H18BrClN2 and a molecular weight of 353.69 g/mol. Its IUPAC name is 5-bromo-3-chloro-1-(2-cyclohexyl-5-methylphenyl)pyrazole.

Molecular Properties

Compound Name5-bromo-3-chloro-1-(2-cyclohexyl-5-methylphenyl)pyrazole
PubChem CID173107422
Molecular FormulaC16H18BrClN2
Molecular Weight353.69 g/mol
Exact Mass352.03
IUPAC Name5-bromo-3-chloro-1-(2-cyclohexyl-5-methylphenyl)pyrazole
SMILESCc1ccc(C2CCCCC2)c(-n2nc(Cl)cc2Br)c1
InChIInChI=1S/C16H18BrClN2/c1-11-7-8-13(12-5-3-2-4-6-12)14(9-11)20-15(17)10-16(18)19-20/h7-10,12H,2-6H2,1H3
InChIKeyIHZBDSSHPOIMJA-UHFFFAOYSA-N
XLogP5.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.69
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-chloro-1-cyclopropyl-4-methylbenzene;ethane
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2-chloro-4-cyclohexyl-5-methylpyridine
CID 146459064
2-chloro-1-cyclohexyl-4-cycloprop-2-en-1-ylbenzene
CID 18962081
1-(5-methyl-2-piperidin-4-ylphenyl)pyrrolidin-2-one
CID 155201545
1,3-dicyclohexyl-2,5-dimethylbenzene
CID 91568948
5-(2-bromophenyl)-2-(2-chloro-4-methylphenyl)-3,4-dihydro-2H-pyrrole
CID 58915284
(2,3-dichlorophenyl)cycloheptane
CID 166869288
1-chloro-4-(4-chloro-3-cyclohexylphenyl)-2-cyclohexylbenzene
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1,2,3-tricyclohexyl-4-methylbenzene
CID 173149758

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-1-(2-cyclohexyl-5-methylphenyl)pyrazole?
The IUPAC name of 5-bromo-3-chloro-1-(2-cyclohexyl-5-methylphenyl)pyrazole (CID 173107422) is 5-bromo-3-chloro-1-(2-cyclohexyl-5-methylphenyl)pyrazole.
What is the SMILES notation for 5-bromo-3-chloro-1-(2-cyclohexyl-5-methylphenyl)pyrazole?
The canonical SMILES for 5-bromo-3-chloro-1-(2-cyclohexyl-5-methylphenyl)pyrazole is Cc1ccc(C2CCCCC2)c(-n2nc(Cl)cc2Br)c1.
What is the InChIKey of 5-bromo-3-chloro-1-(2-cyclohexyl-5-methylphenyl)pyrazole?
The InChIKey is IHZBDSSHPOIMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN2/c1-11-7-8-13(12-5-3-2-4-6-12)14(9-11)20-15(17)10-16(18)19-20/h7-10,12H,2-6H2,1H3.
What are the key properties of 5-bromo-3-chloro-1-(2-cyclohexyl-5-methylphenyl)pyrazole?
5-bromo-3-chloro-1-(2-cyclohexyl-5-methylphenyl)pyrazole has a molecular weight of 353.69 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-1-(2-cyclohexyl-5-methylphenyl)pyrazole is sourced from PubChem (CID 173107422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).