isoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol

C14H13N3O — CID 114554152

IUPACisoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1cccc2cnccc12
InChIInChI=1S/C14H13N3O/c1-17-13(6-8-16-17)14(18)12-4-2-3-10-9-15-7-5-11(10)12/h2-9,14,18H,1H3
InChIKeyILMPVOZFGHUQCH-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.05
Rot. Bonds2

About isoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol

isoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol (PubChem CID 114554152) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is isoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Nameisoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol
PubChem CID114554152
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Nameisoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1cccc2cnccc12
InChIInChI=1S/C14H13N3O/c1-17-13(6-8-16-17)14(18)12-4-2-3-10-9-15-7-5-11(10)12/h2-9,14,18H,1H3
InChIKeyILMPVOZFGHUQCH-UHFFFAOYSA-N
XLogP2.05
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
CID 79584102
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
(2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 63961353
(1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethanol
CID 83092262
(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894530
isoquinolin-5-yl-(5-methylpyrazin-2-yl)methanol
CID 105094562
isoquinolin-5-yl-(2-methylpyrimidin-4-yl)methanol
CID 115527932
(1,3-diethylpyrazol-5-yl)-isoquinolin-5-ylmethanol
CID 105094553
(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

Frequently Asked Questions

What is the IUPAC name of isoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of isoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol (CID 114554152) is isoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for isoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for isoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol is Cn1nccc1C(O)c1cccc2cnccc12.
What is the InChIKey of isoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol?
The InChIKey is ILMPVOZFGHUQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-17-13(6-8-16-17)14(18)12-4-2-3-10-9-15-7-5-11(10)12/h2-9,14,18H,1H3.
What are the key properties of isoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol?
isoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol has a molecular weight of 239.28 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 114554152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).