6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol

C13H19BrN2O — CID 115835341

IUPAC6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
SMILESCC(C)n1ncc(Br)c1C(O)C1C2CCCC21
InChIInChI=1S/C13H19BrN2O/c1-7(2)16-12(10(14)6-15-16)13(17)11-8-4-3-5-9(8)11/h6-9,11,13,17H,3-5H2,1-2H3
InChIKeyCBPABITYTLGRPY-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.31
Rot. Bonds3

About 6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol

6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol (PubChem CID 115835341) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
PubChem CID115835341
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
SMILESCC(C)n1ncc(Br)c1C(O)C1C2CCCC21
InChIInChI=1S/C13H19BrN2O/c1-7(2)16-12(10(14)6-15-16)13(17)11-8-4-3-5-9(8)11/h6-9,11,13,17H,3-5H2,1-2H3
InChIKeyCBPABITYTLGRPY-UHFFFAOYSA-N
XLogP3.31
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bicyclo[4.1.0]heptanyl-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115835832
N-[6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine
CID 105042082
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol
CID 115835453
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105042259
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-butylcyclohexyl)methanol
CID 115835410
7-bicyclo[4.1.0]heptanyl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041966
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbutane-1,2-diol
CID 103456487
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,3-dimethylbutan-1-ol
CID 115835347
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methanol
CID 105128412
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191008
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanol
CID 103547630
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol
CID 103454535

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol (CID 115835341) is 6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol is CC(C)n1ncc(Br)c1C(O)C1C2CCCC21.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol?
The InChIKey is CBPABITYTLGRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-7(2)16-12(10(14)6-15-16)13(17)11-8-4-3-5-9(8)11/h6-9,11,13,17H,3-5H2,1-2H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol?
6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol has a molecular weight of 299.21 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol is sourced from PubChem (CID 115835341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).