2-(1H-inden-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline

C27H20N2 — CID 90297279

IUPAC2-(1H-inden-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
SMILESCc1c(C2=Cc3ccccc3C2)nn2c(-c3ccccc3)cc3ccccc3c12
InChIInChI=1S/C27H20N2/c1-18-26(23-15-20-11-5-6-12-21(20)16-23)28-29-25(19-9-3-2-4-10-19)17-22-13-7-8-14-24(22)27(18)29/h2-15,17H,16H2,1H3
InChIKeyKLJVIJNLIYERBB-UHFFFAOYSA-N
MW372.47 g/mol
LogP6.56
Rot. Bonds2

About 2-(1H-inden-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline

2-(1H-inden-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline (PubChem CID 90297279) has the molecular formula C27H20N2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(1H-inden-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name2-(1H-inden-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
PubChem CID90297279
Molecular FormulaC27H20N2
Molecular Weight372.47 g/mol
Exact Mass372.16
IUPAC Name2-(1H-inden-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
SMILESCc1c(C2=Cc3ccccc3C2)nn2c(-c3ccccc3)cc3ccccc3c12
InChIInChI=1S/C27H20N2/c1-18-26(23-15-20-11-5-6-12-21(20)16-23)28-29-25(19-9-3-2-4-10-19)17-22-13-7-8-14-24(22)27(18)29/h2-15,17H,16H2,1H3
InChIKeyKLJVIJNLIYERBB-UHFFFAOYSA-N
XLogP6.56
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 90297270
2-(3-bromophenyl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 90297222
1-methyl-5-phenyl-2-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 140940022
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 140939980
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-2,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 167328809
5-(4-methoxyphenyl)-1,2-dimethylpyrazolo[5,1-a]isoquinoline
CID 122382936
2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 90297803
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-methyl-2,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 167328879
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
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline
CID 140939957
5-phenyl-1,2-dipyridin-2-ylpyrazolo[5,1-a]isoquinoline
CID 90297358
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 2-(1H-inden-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 2-(1H-inden-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline (CID 90297279) is 2-(1H-inden-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 2-(1H-inden-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 2-(1H-inden-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline is Cc1c(C2=Cc3ccccc3C2)nn2c(-c3ccccc3)cc3ccccc3c12.
What is the InChIKey of 2-(1H-inden-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline?
The InChIKey is KLJVIJNLIYERBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2/c1-18-26(23-15-20-11-5-6-12-21(20)16-23)28-29-25(19-9-3-2-4-10-19)17-22-13-7-8-14-24(22)27(18)29/h2-15,17H,16H2,1H3.
What are the key properties of 2-(1H-inden-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline?
2-(1H-inden-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline has a molecular weight of 372.47 g/mol, XLogP of 6.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-inden-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).