5-(4-methoxyphenyl)-1,2-dimethylpyrazolo[5,1-a]isoquinoline

C20H18N2O — CID 122382936

IUPAC5-(4-methoxyphenyl)-1,2-dimethylpyrazolo[5,1-a]isoquinoline
SMILESCOc1ccc(-c2cc3ccccc3c3c(C)c(C)nn23)cc1
InChIInChI=1S/C20H18N2O/c1-13-14(2)21-22-19(15-8-10-17(23-3)11-9-15)12-16-6-4-5-7-18(16)20(13)22/h4-12H,1-3H3
InChIKeyZZSXHEPHBGOFNU-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.78
Rot. Bonds2

About 5-(4-methoxyphenyl)-1,2-dimethylpyrazolo[5,1-a]isoquinoline

5-(4-methoxyphenyl)-1,2-dimethylpyrazolo[5,1-a]isoquinoline (PubChem CID 122382936) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1,2-dimethylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1,2-dimethylpyrazolo[5,1-a]isoquinoline
PubChem CID122382936
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name5-(4-methoxyphenyl)-1,2-dimethylpyrazolo[5,1-a]isoquinoline
SMILESCOc1ccc(-c2cc3ccccc3c3c(C)c(C)nn23)cc1
InChIInChI=1S/C20H18N2O/c1-13-14(2)21-22-19(15-8-10-17(23-3)11-9-15)12-16-6-4-5-7-18(16)20(13)22/h4-12H,1-3H3
InChIKeyZZSXHEPHBGOFNU-UHFFFAOYSA-N
XLogP4.78
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 90297270
5-(4-chlorophenyl)-2-methylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde
CID 102203143
5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline
CID 71723863
2-(1H-inden-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 90297279
1-methyl-5-phenyl-2-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 140940022
2-(3-bromophenyl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 90297222
3-(4-methoxyphenyl)-2-methylisoquinolin-1-one
CID 1233900
azane;3-(4-methoxyphenyl)-1,4-dimethylisoquinoline
CID 175418792
1-methyl-5-phenyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 140939982
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-2,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 167328809
6-chloro-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 712689
2-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 140939934

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1,2-dimethylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 5-(4-methoxyphenyl)-1,2-dimethylpyrazolo[5,1-a]isoquinoline (CID 122382936) is 5-(4-methoxyphenyl)-1,2-dimethylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 5-(4-methoxyphenyl)-1,2-dimethylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 5-(4-methoxyphenyl)-1,2-dimethylpyrazolo[5,1-a]isoquinoline is COc1ccc(-c2cc3ccccc3c3c(C)c(C)nn23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1,2-dimethylpyrazolo[5,1-a]isoquinoline?
The InChIKey is ZZSXHEPHBGOFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-13-14(2)21-22-19(15-8-10-17(23-3)11-9-15)12-16-6-4-5-7-18(16)20(13)22/h4-12H,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-1,2-dimethylpyrazolo[5,1-a]isoquinoline?
5-(4-methoxyphenyl)-1,2-dimethylpyrazolo[5,1-a]isoquinoline has a molecular weight of 302.38 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1,2-dimethylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 122382936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).