(1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol

C15H15N3O — CID 83092262

IUPAC(1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
SMILESCc1nn(C)cc1C(O)c1cccc2cnccc12
InChIInChI=1S/C15H15N3O/c1-10-14(9-18(2)17-10)15(19)13-5-3-4-11-8-16-7-6-12(11)13/h3-9,15,19H,1-2H3
InChIKeyLPOSGONSFNSEQM-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.36
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol

(1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol (PubChem CID 83092262) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
PubChem CID83092262
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name(1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
SMILESCc1nn(C)cc1C(O)c1cccc2cnccc12
InChIInChI=1S/C15H15N3O/c1-10-14(9-18(2)17-10)15(19)13-5-3-4-11-8-16-7-6-12(11)13/h3-9,15,19H,1-2H3
InChIKeyLPOSGONSFNSEQM-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

N-[(1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethyl]ethanamine
CID 102803545
(1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
CID 79584102
(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894530
isoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol
CID 114554152
(2,4-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894893
(3,5-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894563
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
(2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 62813520
(2-aminophenyl)-isoquinolin-5-ylmethanol
CID 64832372
(2-iodophenyl)-isoquinolin-5-ylmethanol
CID 115794969
isoquinolin-5-yl-(3-methylphenyl)methanol
CID 62813349
(2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol
CID 115795023

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol (CID 83092262) is (1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol is Cc1nn(C)cc1C(O)c1cccc2cnccc12.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol?
The InChIKey is LPOSGONSFNSEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-14(9-18(2)17-10)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 (1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol?
(1,3-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 (1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol is sourced from PubChem (CID 83092262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).