3-bicyclo[3.1.0]hexanyl-(4-bromo-1-ethylpyrazol-5-yl)methanone

C12H15BrN2O — CID 115803497

IUPAC3-bicyclo[3.1.0]hexanyl-(4-bromo-1-ethylpyrazol-5-yl)methanone
SMILESCCn1ncc(Br)c1C(=O)C1CC2CC2C1
InChIInChI=1S/C12H15BrN2O/c1-2-15-11(10(13)6-14-15)12(16)9-4-7-3-8(7)5-9/h6-9H,2-5H2,1H3
InChIKeyBOBUWZMMHYAJMP-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.89
Rot. Bonds3

About 3-bicyclo[3.1.0]hexanyl-(4-bromo-1-ethylpyrazol-5-yl)methanone

3-bicyclo[3.1.0]hexanyl-(4-bromo-1-ethylpyrazol-5-yl)methanone (PubChem CID 115803497) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl-(4-bromo-1-ethylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl-(4-bromo-1-ethylpyrazol-5-yl)methanone
PubChem CID115803497
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name3-bicyclo[3.1.0]hexanyl-(4-bromo-1-ethylpyrazol-5-yl)methanone
SMILESCCn1ncc(Br)c1C(=O)C1CC2CC2C1
InChIInChI=1S/C12H15BrN2O/c1-2-15-11(10(13)6-14-15)12(16)9-4-7-3-8(7)5-9/h6-9H,2-5H2,1H3
InChIKeyBOBUWZMMHYAJMP-UHFFFAOYSA-N
XLogP2.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bicyclo[3.1.0]hexanyl-(4-bromo-1-ethylpyrazol-5-yl)methanone with MolForge

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(oxan-4-yl)methanone
CID 114640603
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone
CID 103543833
[5-(aminomethyl)oxolan-2-yl]-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114670126
(4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105130147
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)propan-1-one
CID 114668211
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone
CID 114639502
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4,4-dimethylcyclohexyl)methanone
CID 114640708
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone
CID 114639327
1-(4-bromo-1-ethylpyrazol-5-yl)-2-hydroxy-2-methylbutan-1-one
CID 103446694
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 114669209
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 114641152
1-(4-bromo-1-ethylpyrazol-5-yl)-3-cyclohexylpropan-1-one
CID 115803375

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl-(4-bromo-1-ethylpyrazol-5-yl)methanone?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl-(4-bromo-1-ethylpyrazol-5-yl)methanone (CID 115803497) is 3-bicyclo[3.1.0]hexanyl-(4-bromo-1-ethylpyrazol-5-yl)methanone.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl-(4-bromo-1-ethylpyrazol-5-yl)methanone?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl-(4-bromo-1-ethylpyrazol-5-yl)methanone is CCn1ncc(Br)c1C(=O)C1CC2CC2C1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl-(4-bromo-1-ethylpyrazol-5-yl)methanone?
The InChIKey is BOBUWZMMHYAJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-2-15-11(10(13)6-14-15)12(16)9-4-7-3-8(7)5-9/h6-9H,2-5H2,1H3.
What are the key properties of 3-bicyclo[3.1.0]hexanyl-(4-bromo-1-ethylpyrazol-5-yl)methanone?
3-bicyclo[3.1.0]hexanyl-(4-bromo-1-ethylpyrazol-5-yl)methanone has a molecular weight of 283.17 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[3.1.0]hexanyl-(4-bromo-1-ethylpyrazol-5-yl)methanone is sourced from PubChem (CID 115803497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).