1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline

C28H20N2 — CID 90297270

IUPAC1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline
SMILESCc1c(-c2cccc3ccccc23)nn2c(-c3ccccc3)cc3ccccc3c12
InChIInChI=1S/C28H20N2/c1-19-27(25-17-9-14-20-10-5-7-15-23(20)25)29-30-26(21-11-3-2-4-12-21)18-22-13-6-8-16-24(22)28(19)30/h2-18H,1H3
InChIKeyRJCOWWRQUOJKAJ-UHFFFAOYSA-N
MW384.48 g/mol
LogP7.28
Rot. Bonds2

About 1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline

1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline (PubChem CID 90297270) has the molecular formula C28H20N2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline
PubChem CID90297270
Molecular FormulaC28H20N2
Molecular Weight384.48 g/mol
Exact Mass384.16
IUPAC Name1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline
SMILESCc1c(-c2cccc3ccccc23)nn2c(-c3ccccc3)cc3ccccc3c12
InChIInChI=1S/C28H20N2/c1-19-27(25-17-9-14-20-10-5-7-15-23(20)25)29-30-26(21-11-3-2-4-12-21)18-22-13-6-8-16-24(22)28(19)30/h2-18H,1H3
InChIKeyRJCOWWRQUOJKAJ-UHFFFAOYSA-N
XLogP7.28
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 90297222
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 140939980
1-methyl-5-phenyl-2-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]pyrazolo[5,1-a]isoquinoline
CID 140940022
2-(1H-inden-2-yl)-1-methyl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 90297279
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
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-2,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 167328809
9,9-dimethyl-N-[3-[3-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 90297192
9,9-dimethyl-N-[4-(1-methyl-2-phenylpyrazolo[5,1-a]isoquinolin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90297662
9,9-dimethyl-N-[4-(1-methyl-5-phenylpyrazolo[5,1-a]isoquinolin-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90297213
5-(4-methoxyphenyl)-1,2-dimethylpyrazolo[5,1-a]isoquinoline
CID 122382936
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-methyl-2,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 167328879
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 1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline (CID 90297270) is 1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline is Cc1c(-c2cccc3ccccc23)nn2c(-c3ccccc3)cc3ccccc3c12.
What is the InChIKey of 1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline?
The InChIKey is RJCOWWRQUOJKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2/c1-19-27(25-17-9-14-20-10-5-7-15-23(20)25)29-30-26(21-11-3-2-4-12-21)18-22-13-6-8-16-24(22)28(19)30/h2-18H,1H3.
What are the key properties of 1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline?
1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline has a molecular weight of 384.48 g/mol, XLogP of 7.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 90297270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).