(1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol

C15H15N3O — CID 79584102

IUPAC(1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
SMILESCc1c(C(O)c2cccc3cnccc23)cnn1C
InChIInChI=1S/C15H15N3O/c1-10-14(9-17-18(10)2)15(19)13-5-3-4-11-8-16-7-6-12(11)13/h3-9,15,19H,1-2H3
InChIKeyRXXRBSYHMUXSTE-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.36
Rot. Bonds2

About (1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol

(1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol (PubChem CID 79584102) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
PubChem CID79584102
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name(1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
SMILESCc1c(C(O)c2cccc3cnccc23)cnn1C
InChIInChI=1S/C15H15N3O/c1-10-14(9-17-18(10)2)15(19)13-5-3-4-11-8-16-7-6-12(11)13/h3-9,15,19H,1-2H3
InChIKeyRXXRBSYHMUXSTE-UHFFFAOYSA-N
XLogP2.36
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894530
isoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol
CID 114554152
(1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
CID 83092262
(2,4-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894893
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
(5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol
CID 62813674
isoquinolin-5-yl-(2-methylpyrimidin-4-yl)methanol
CID 115527932
(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894563
(2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 62813520
(2-iodophenyl)-isoquinolin-5-ylmethanol
CID 115794969
(2-aminophenyl)-isoquinolin-5-ylmethanol
CID 64832372
isoquinolin-5-yl-(3-methylphenyl)methanol
CID 62813349

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol (CID 79584102) is (1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol is Cc1c(C(O)c2cccc3cnccc23)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol?
The InChIKey is RXXRBSYHMUXSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-14(9-17-18(10)2)15(19)13-5-3-4-11-8-16-7-6-12(11)13/h3-9,15,19H,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol?
(1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol has a molecular weight of 253.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol is sourced from PubChem (CID 79584102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).