5-(3-methylphenyl)-3H-pyrazolo[5,4-c]isoquinoline

C17H13N3 — CID 90817428

IUPAC5-(3-methylphenyl)-3H-pyrazolo[5,4-c]isoquinoline
SMILESCc1cccc(-c2nc3[nH]ncc3c3ccccc23)c1
InChIInChI=1S/C17H13N3/c1-11-5-4-6-12(9-11)16-14-8-3-2-7-13(14)15-10-18-20-17(15)19-16/h2-10H,1H3,(H,18,19,20)
InChIKeyNWNGUBJIXOKIMQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.09
Rot. Bonds1

About 5-(3-methylphenyl)-3H-pyrazolo[5,4-c]isoquinoline

5-(3-methylphenyl)-3H-pyrazolo[5,4-c]isoquinoline (PubChem CID 90817428) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(3-methylphenyl)-3H-pyrazolo[5,4-c]isoquinoline.

Molecular Properties

Compound Name5-(3-methylphenyl)-3H-pyrazolo[5,4-c]isoquinoline
PubChem CID90817428
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name5-(3-methylphenyl)-3H-pyrazolo[5,4-c]isoquinoline
SMILESCc1cccc(-c2nc3[nH]ncc3c3ccccc23)c1
InChIInChI=1S/C17H13N3/c1-11-5-4-6-12(9-11)16-14-8-3-2-7-13(14)15-10-18-20-17(15)19-16/h2-10H,1H3,(H,18,19,20)
InChIKeyNWNGUBJIXOKIMQ-UHFFFAOYSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole
CID 118532825
4-methyl-5-(3-methylphenyl)-1H-pyrazole
CID 54111991
7-chloro-5-(3-methylphenyl)-1H-indazole
CID 171662467
4-[3-(3-methylphenoxy)phenyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 143380573
5-amino-4-(3-methylphenyl)-1H-pyridazin-6-one
CID 117127405
5-(1H-indazol-5-yl)-4-(3-methylphenyl)-1,3-thiazole
CID 122510941
ethane;2-(3-methylphenyl)triphenylene
CID 90881937
4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 50948381
6-(3,5-dimethylphenyl)phenanthridine
CID 122398560
8-methyl-1-(3-methylphenyl)naphtho[2,1-f]isoquinoline
CID 118595089
7-(3-methylphenyl)-2,8-phenanthroline
CID 168852625
2-(3-methylphenyl)triphenylene;2-methyltriphenylene
CID 160536482

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-3H-pyrazolo[5,4-c]isoquinoline?
The IUPAC name of 5-(3-methylphenyl)-3H-pyrazolo[5,4-c]isoquinoline (CID 90817428) is 5-(3-methylphenyl)-3H-pyrazolo[5,4-c]isoquinoline.
What is the SMILES notation for 5-(3-methylphenyl)-3H-pyrazolo[5,4-c]isoquinoline?
The canonical SMILES for 5-(3-methylphenyl)-3H-pyrazolo[5,4-c]isoquinoline is Cc1cccc(-c2nc3[nH]ncc3c3ccccc23)c1.
What is the InChIKey of 5-(3-methylphenyl)-3H-pyrazolo[5,4-c]isoquinoline?
The InChIKey is NWNGUBJIXOKIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c1-11-5-4-6-12(9-11)16-14-8-3-2-7-13(14)15-10-18-20-17(15)19-16/h2-10H,1H3,(H,18,19,20).
What are the key properties of 5-(3-methylphenyl)-3H-pyrazolo[5,4-c]isoquinoline?
5-(3-methylphenyl)-3H-pyrazolo[5,4-c]isoquinoline has a molecular weight of 259.31 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-3H-pyrazolo[5,4-c]isoquinoline is sourced from PubChem (CID 90817428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).