1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol

C17H19N3O — CID 103139051

IUPAC1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1CC(O)c1cccc2ccncc12
InChIInChI=1S/C17H19N3O/c1-11-15(12(2)20(3)19-11)9-17(21)14-6-4-5-13-7-8-18-10-16(13)14/h4-8,10,17,21H,9H2,1-3H3
InChIKeyYMCJSHSIFCNKHH-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.86
Rot. Bonds3

About 1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol

1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol (PubChem CID 103139051) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
PubChem CID103139051
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)c(C)c1CC(O)c1cccc2ccncc12
InChIInChI=1S/C17H19N3O/c1-11-15(12(2)20(3)19-11)9-17(21)14-6-4-5-13-7-8-18-10-16(13)14/h4-8,10,17,21H,9H2,1-3H3
InChIKeyYMCJSHSIFCNKHH-UHFFFAOYSA-N
XLogP2.86
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105095807
1-isoquinolin-8-ylpentan-1-ol
CID 103138987
1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 103143412
isoquinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 103133944
1-isoquinolin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105147431
1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol
CID 103139145
1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136902
1-(2,3-dimethylimidazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 114283574
1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105080887
1-(3-ethyltriazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 114213625
N-[1-(3-fluoro-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105181891
1-isoquinolin-8-yl-2-phenylsulfanylethanol
CID 103139302

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The IUPAC name of 1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol (CID 103139051) is 1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol is Cc1nn(C)c(C)c1CC(O)c1cccc2ccncc12.
What is the InChIKey of 1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
The InChIKey is YMCJSHSIFCNKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-15(12(2)20(3)19-11)9-17(21)14-6-4-5-13-7-8-18-10-16(13)14/h4-8,10,17,21H,9H2,1-3H3.
What are the key properties of 1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol?
1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol has a molecular weight of 281.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 103139051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).