5-(2,3-dimethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline

C19H17N3O2 — CID 10403663

IUPAC5-(2,3-dimethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
SMILESCOc1cccc(-c2nc3c(C)[nH]nc3c3ccccc23)c1OC
InChIInChI=1S/C19H17N3O2/c1-11-16-18(22-21-11)13-8-5-4-7-12(13)17(20-16)14-9-6-10-15(23-2)19(14)24-3/h4-10H,1-3H3,(H,21,22)
InChIKeyPUASDWJGXHTBPY-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.10
Rot. Bonds3

About 5-(2,3-dimethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline

5-(2,3-dimethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline (PubChem CID 10403663) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-(2,3-dimethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline.

Molecular Properties

Compound Name5-(2,3-dimethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
PubChem CID10403663
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name5-(2,3-dimethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
SMILESCOc1cccc(-c2nc3c(C)[nH]nc3c3ccccc23)c1OC
InChIInChI=1S/C19H17N3O2/c1-11-16-18(22-21-11)13-8-5-4-7-12(13)17(20-16)14-9-6-10-15(23-2)19(14)24-3/h4-10H,1-3H3,(H,21,22)
InChIKeyPUASDWJGXHTBPY-UHFFFAOYSA-N
XLogP4.10
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,6-difluorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
CID 11185520
3-(2,3-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106521195
ethyl 1-(2,3-dimethoxyphenyl)-5,6,7-trimethoxyisoquinoline-3-carboxylate
CID 10862860
4-(2-methoxyphenyl)-2-(6-methyl-2-pyridinyl)quinazoline
CID 67700753
5-(2,3-dimethoxyphenyl)-3-methyl-2-propylimidazol-4-amine
CID 62220472
2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole
CID 39902669
2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole
CID 142679253
3-chloro-6-(2,3-dimethoxyphenyl)-4,5-dimethylpyridazine
CID 82793955
8-chloro-3-methyl-5-phenyl-2H-pyrazolo[4,3-c]isoquinoline
CID 11243342
5-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole
CID 122146031
1-(2,3-dimethoxyphenyl)-6,7-dimethoxyisoquinoline;hydrochloride
CID 3029064
6-(2,3-dimethoxyphenyl)-N-ethylpyridin-2-amine
CID 82795148

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline?
The IUPAC name of 5-(2,3-dimethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline (CID 10403663) is 5-(2,3-dimethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline.
What is the SMILES notation for 5-(2,3-dimethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline?
The canonical SMILES for 5-(2,3-dimethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline is COc1cccc(-c2nc3c(C)[nH]nc3c3ccccc23)c1OC.
What is the InChIKey of 5-(2,3-dimethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline?
The InChIKey is PUASDWJGXHTBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-11-16-18(22-21-11)13-8-5-4-7-12(13)17(20-16)14-9-6-10-15(23-2)19(14)24-3/h4-10H,1-3H3,(H,21,22).
What are the key properties of 5-(2,3-dimethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline?
5-(2,3-dimethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline has a molecular weight of 319.36 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethoxyphenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline is sourced from PubChem (CID 10403663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).