2-(4-bromoindazol-2-yl)-1-cyclohexylethanone

C15H17BrN2O — CID 171533832

IUPAC2-(4-bromoindazol-2-yl)-1-cyclohexylethanone
SMILESO=C(Cn1cc2c(Br)cccc2n1)C1CCCCC1
InChIInChI=1S/C15H17BrN2O/c16-13-7-4-8-14-12(13)9-18(17-14)10-15(19)11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2
InChIKeyXCXZYGFAKZQXJQ-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.95
Rot. Bonds3

About 2-(4-bromoindazol-2-yl)-1-cyclohexylethanone

2-(4-bromoindazol-2-yl)-1-cyclohexylethanone (PubChem CID 171533832) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-(4-bromoindazol-2-yl)-1-cyclohexylethanone.

Molecular Properties

Compound Name2-(4-bromoindazol-2-yl)-1-cyclohexylethanone
PubChem CID171533832
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-(4-bromoindazol-2-yl)-1-cyclohexylethanone
SMILESO=C(Cn1cc2c(Br)cccc2n1)C1CCCCC1
InChIInChI=1S/C15H17BrN2O/c16-13-7-4-8-14-12(13)9-18(17-14)10-15(19)11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2
InChIKeyXCXZYGFAKZQXJQ-UHFFFAOYSA-N
XLogP3.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-bromoindazol-2-yl)acetate
CID 131383868
2-(4-bromopyrazol-1-yl)-1-cyclohexylethanone
CID 115641053
2-(4-chloro-3-methylpyrazol-1-yl)-1-cyclohexylethanone
CID 104751490
2-(benzotriazol-1-yl)-1-cyclohexylethanone
CID 115579305
4-bromo-2-(2,2-difluoro-2-phenylethyl)indazole
CID 171534158
5-bromo-1-(2-cyclopentyl-2-oxoethyl)pyridin-2-one
CID 104751175
2-(2-bromophenoxy)-1-cyclohexylethanone
CID 115578561
1-cyclopentyl-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 104750643
1-cyclopropyl-2-(4-phenylpyrazol-1-yl)ethanone
CID 63912454
N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide
CID 170897061
2-(3-chloroindol-1-yl)-1-cyclopentylethanone
CID 104751384
2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone
CID 116599888

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoindazol-2-yl)-1-cyclohexylethanone?
The IUPAC name of 2-(4-bromoindazol-2-yl)-1-cyclohexylethanone (CID 171533832) is 2-(4-bromoindazol-2-yl)-1-cyclohexylethanone.
What is the SMILES notation for 2-(4-bromoindazol-2-yl)-1-cyclohexylethanone?
The canonical SMILES for 2-(4-bromoindazol-2-yl)-1-cyclohexylethanone is O=C(Cn1cc2c(Br)cccc2n1)C1CCCCC1.
What is the InChIKey of 2-(4-bromoindazol-2-yl)-1-cyclohexylethanone?
The InChIKey is XCXZYGFAKZQXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c16-13-7-4-8-14-12(13)9-18(17-14)10-15(19)11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2.
What are the key properties of 2-(4-bromoindazol-2-yl)-1-cyclohexylethanone?
2-(4-bromoindazol-2-yl)-1-cyclohexylethanone has a molecular weight of 321.22 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoindazol-2-yl)-1-cyclohexylethanone is sourced from PubChem (CID 171533832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).