(1,3-diethylpyrazol-5-yl)-isoquinolin-5-ylmethanol

C17H19N3O — CID 105094553

IUPAC(1,3-diethylpyrazol-5-yl)-isoquinolin-5-ylmethanol
SMILESCCc1cc(C(O)c2cccc3cnccc23)n(CC)n1
InChIInChI=1S/C17H19N3O/c1-3-13-10-16(20(4-2)19-13)17(21)15-7-5-6-12-11-18-9-8-14(12)15/h5-11,17,21H,3-4H2,1-2H3
InChIKeyMZSAGGHTSUUIQL-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.10
Rot. Bonds4

About (1,3-diethylpyrazol-5-yl)-isoquinolin-5-ylmethanol

(1,3-diethylpyrazol-5-yl)-isoquinolin-5-ylmethanol (PubChem CID 105094553) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (1,3-diethylpyrazol-5-yl)-isoquinolin-5-ylmethanol.

Molecular Properties

Compound Name(1,3-diethylpyrazol-5-yl)-isoquinolin-5-ylmethanol
PubChem CID105094553
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(1,3-diethylpyrazol-5-yl)-isoquinolin-5-ylmethanol
SMILESCCc1cc(C(O)c2cccc3cnccc23)n(CC)n1
InChIInChI=1S/C17H19N3O/c1-3-13-10-16(20(4-2)19-13)17(21)15-7-5-6-12-11-18-9-8-14(12)15/h5-11,17,21H,3-4H2,1-2H3
InChIKeyMZSAGGHTSUUIQL-UHFFFAOYSA-N
XLogP3.10
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-diethylpyrazol-5-yl)-quinolin-5-ylmethanol
CID 105118165
1-benzothiophen-7-yl-(1,3-diethylpyrazol-5-yl)methanol
CID 105119200
isoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol
CID 114554152
(3-ethylimidazol-4-yl)-isoquinolin-8-ylmethanol
CID 103142939
(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894563
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
isoquinolin-5-yl-(3-methylphenyl)methanol
CID 62813349
(1,3-diethylpyrazol-5-yl)-(2,3,4-trifluorophenyl)methanol
CID 105097047
(5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol
CID 62813674
(1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
CID 83092262
(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894530
(3,4-difluorophenyl)-isoquinolin-5-ylmethanol
CID 62813501

Frequently Asked Questions

What is the IUPAC name of (1,3-diethylpyrazol-5-yl)-isoquinolin-5-ylmethanol?
The IUPAC name of (1,3-diethylpyrazol-5-yl)-isoquinolin-5-ylmethanol (CID 105094553) is (1,3-diethylpyrazol-5-yl)-isoquinolin-5-ylmethanol.
What is the SMILES notation for (1,3-diethylpyrazol-5-yl)-isoquinolin-5-ylmethanol?
The canonical SMILES for (1,3-diethylpyrazol-5-yl)-isoquinolin-5-ylmethanol is CCc1cc(C(O)c2cccc3cnccc23)n(CC)n1.
What is the InChIKey of (1,3-diethylpyrazol-5-yl)-isoquinolin-5-ylmethanol?
The InChIKey is MZSAGGHTSUUIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-3-13-10-16(20(4-2)19-13)17(21)15-7-5-6-12-11-18-9-8-14(12)15/h5-11,17,21H,3-4H2,1-2H3.
What are the key properties of (1,3-diethylpyrazol-5-yl)-isoquinolin-5-ylmethanol?
(1,3-diethylpyrazol-5-yl)-isoquinolin-5-ylmethanol has a molecular weight of 281.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethylpyrazol-5-yl)-isoquinolin-5-ylmethanol is sourced from PubChem (CID 105094553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).