10-methyl-5,6-diphenylpyrazolo[5,1-a]isoquinoline

C24H18N2 — CID 56649085

IUPAC10-methyl-5,6-diphenylpyrazolo[5,1-a]isoquinoline
SMILESCc1cccc2c(-c3ccccc3)c(-c3ccccc3)n3nccc3c12
InChIInChI=1S/C24H18N2/c1-17-9-8-14-20-22(17)21-15-16-25-26(21)24(19-12-6-3-7-13-19)23(20)18-10-4-2-5-11-18/h2-16H,1H3
InChIKeyGTCODCOIAXBFHZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP6.13
Rot. Bonds2

About 10-methyl-5,6-diphenylpyrazolo[5,1-a]isoquinoline

10-methyl-5,6-diphenylpyrazolo[5,1-a]isoquinoline (PubChem CID 56649085) has the molecular formula C24H18N2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 10-methyl-5,6-diphenylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name10-methyl-5,6-diphenylpyrazolo[5,1-a]isoquinoline
PubChem CID56649085
Molecular FormulaC24H18N2
Molecular Weight334.42 g/mol
Exact Mass334.15
IUPAC Name10-methyl-5,6-diphenylpyrazolo[5,1-a]isoquinoline
SMILESCc1cccc2c(-c3ccccc3)c(-c3ccccc3)n3nccc3c12
InChIInChI=1S/C24H18N2/c1-17-9-8-14-20-22(17)21-15-16-25-26(21)24(19-12-6-3-7-13-19)23(20)18-10-4-2-5-11-18/h2-16H,1H3
InChIKeyGTCODCOIAXBFHZ-UHFFFAOYSA-N
XLogP6.13
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-bis(4-chlorophenyl)pyrazolo[5,1-a]isoquinoline
CID 56648998
1-methyl-2,3-diphenylindole
CID 11426096
4-methyl-9-(4-phenylphenyl)carbazole
CID 122415243
8-methyl-7,12-diphenylbenzo[k]fluoranthene
CID 154225816
1,8-dimethyl-2,3-diphenylquinolin-4-one
CID 166440034
5-(2-methylphenyl)-6,11,12-triphenyltetracene
CID 59307472
3,5-dimethyl-2,4-diphenylquinoline
CID 86174433
5,6-dimethyl-1,2,3-triphenylindole
CID 102138148
1,2,5-triphenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 155159510
1-chloro-2,3-diphenylindole
CID 158405543
2-methyl-1-phenyltriphenylene
CID 175828145
1-methylbenzo[c]cinnoline
CID 135059712

Frequently Asked Questions

What is the IUPAC name of 10-methyl-5,6-diphenylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 10-methyl-5,6-diphenylpyrazolo[5,1-a]isoquinoline (CID 56649085) is 10-methyl-5,6-diphenylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 10-methyl-5,6-diphenylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 10-methyl-5,6-diphenylpyrazolo[5,1-a]isoquinoline is Cc1cccc2c(-c3ccccc3)c(-c3ccccc3)n3nccc3c12.
What is the InChIKey of 10-methyl-5,6-diphenylpyrazolo[5,1-a]isoquinoline?
The InChIKey is GTCODCOIAXBFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2/c1-17-9-8-14-20-22(17)21-15-16-25-26(21)24(19-12-6-3-7-13-19)23(20)18-10-4-2-5-11-18/h2-16H,1H3.
What are the key properties of 10-methyl-5,6-diphenylpyrazolo[5,1-a]isoquinoline?
10-methyl-5,6-diphenylpyrazolo[5,1-a]isoquinoline has a molecular weight of 334.42 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-5,6-diphenylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 56649085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).