7,8-dimethoxy-5-methyl-3-phenylpyrazolo[5,4-c]isoquinoline

C19H17N3O2 — CID 818230

IUPAC7,8-dimethoxy-5-methyl-3-phenylpyrazolo[5,4-c]isoquinoline
SMILESCOc1cc2c(C)nc3c(cnn3-c3ccccc3)c2cc1OC
InChIInChI=1S/C19H17N3O2/c1-12-14-9-17(23-2)18(24-3)10-15(14)16-11-20-22(19(16)21-12)13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyWFJVPPJMIKWAIJ-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.90
Rot. Bonds3

About 7,8-dimethoxy-5-methyl-3-phenylpyrazolo[5,4-c]isoquinoline

7,8-dimethoxy-5-methyl-3-phenylpyrazolo[5,4-c]isoquinoline (PubChem CID 818230) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 7,8-dimethoxy-5-methyl-3-phenylpyrazolo[5,4-c]isoquinoline.

Molecular Properties

Compound Name7,8-dimethoxy-5-methyl-3-phenylpyrazolo[5,4-c]isoquinoline
PubChem CID818230
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name7,8-dimethoxy-5-methyl-3-phenylpyrazolo[5,4-c]isoquinoline
SMILESCOc1cc2c(C)nc3c(cnn3-c3ccccc3)c2cc1OC
InChIInChI=1S/C19H17N3O2/c1-12-14-9-17(23-2)18(24-3)10-15(14)16-11-20-22(19(16)21-12)13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyWFJVPPJMIKWAIJ-UHFFFAOYSA-N
XLogP3.90
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-5-methyl-3-phenylpyrazolo[5,4-c]isoquinoline?
The IUPAC name of 7,8-dimethoxy-5-methyl-3-phenylpyrazolo[5,4-c]isoquinoline (CID 818230) is 7,8-dimethoxy-5-methyl-3-phenylpyrazolo[5,4-c]isoquinoline.
What is the SMILES notation for 7,8-dimethoxy-5-methyl-3-phenylpyrazolo[5,4-c]isoquinoline?
The canonical SMILES for 7,8-dimethoxy-5-methyl-3-phenylpyrazolo[5,4-c]isoquinoline is COc1cc2c(C)nc3c(cnn3-c3ccccc3)c2cc1OC.
What is the InChIKey of 7,8-dimethoxy-5-methyl-3-phenylpyrazolo[5,4-c]isoquinoline?
The InChIKey is WFJVPPJMIKWAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-14-9-17(23-2)18(24-3)10-15(14)16-11-20-22(19(16)21-12)13-7-5-4-6-8-13/h4-11H,1-3H3.
What are the key properties of 7,8-dimethoxy-5-methyl-3-phenylpyrazolo[5,4-c]isoquinoline?
7,8-dimethoxy-5-methyl-3-phenylpyrazolo[5,4-c]isoquinoline has a molecular weight of 319.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-5-methyl-3-phenylpyrazolo[5,4-c]isoquinoline is sourced from PubChem (CID 818230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).