1-(4-chlorophenyl)-5-phenylpyrazolo[5,1-a]isoquinoline

C23H15ClN2 — CID 102433500

IUPAC1-(4-chlorophenyl)-5-phenylpyrazolo[5,1-a]isoquinoline
SMILESClc1ccc(-c2cnn3c(-c4ccccc4)cc4ccccc4c23)cc1
InChIInChI=1S/C23H15ClN2/c24-19-12-10-16(11-13-19)21-15-25-26-22(17-6-2-1-3-7-17)14-18-8-4-5-9-20(18)23(21)26/h1-15H
InChIKeyJXUPOFANTBOYEW-UHFFFAOYSA-N
MW354.84 g/mol
LogP6.47
Rot. Bonds2

About 1-(4-chlorophenyl)-5-phenylpyrazolo[5,1-a]isoquinoline

1-(4-chlorophenyl)-5-phenylpyrazolo[5,1-a]isoquinoline (PubChem CID 102433500) has the molecular formula C23H15ClN2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-phenylpyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-phenylpyrazolo[5,1-a]isoquinoline
PubChem CID102433500
Molecular FormulaC23H15ClN2
Molecular Weight354.84 g/mol
Exact Mass354.09
IUPAC Name1-(4-chlorophenyl)-5-phenylpyrazolo[5,1-a]isoquinoline
SMILESClc1ccc(-c2cnn3c(-c4ccccc4)cc4ccccc4c23)cc1
InChIInChI=1S/C23H15ClN2/c24-19-12-10-16(11-13-19)21-15-25-26-22(17-6-2-1-3-7-17)14-18-8-4-5-9-20(18)23(21)26/h1-15H
InChIKeyJXUPOFANTBOYEW-UHFFFAOYSA-N
XLogP6.47
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.84
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-phenylpyrazolo[5,1-a]isoquinolin-1-yl)benzonitrile
CID 122383196
5-(4-chlorophenyl)-2-methylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde
CID 102203143
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline
CID 140939957
2-(4-bromophenyl)-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 90297803
4-(1,5-diphenylpyrazolo[5,1-a]isoquinolin-2-yl)-N,N-diphenylaniline
CID 90297341
3-(4-chlorophenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 66490709
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 155029490
1,5-diphenyl-6-[4-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]pyrazolo[5,1-a]isoquinoline
CID 155159633
5-(4-chlorophenyl)-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline
CID 71723863
butyl 9-chloro-5-phenylpyrazolo[5,1-a]isoquinoline-1-carboxylate
CID 46901130
1-methyl-2-naphthalen-1-yl-5-phenylpyrazolo[5,1-a]isoquinoline
CID 90297270
1,5-diphenyl-6-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]pyrazolo[5,1-a]isoquinoline
CID 155158969

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-phenylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 1-(4-chlorophenyl)-5-phenylpyrazolo[5,1-a]isoquinoline (CID 102433500) is 1-(4-chlorophenyl)-5-phenylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 1-(4-chlorophenyl)-5-phenylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 1-(4-chlorophenyl)-5-phenylpyrazolo[5,1-a]isoquinoline is Clc1ccc(-c2cnn3c(-c4ccccc4)cc4ccccc4c23)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-phenylpyrazolo[5,1-a]isoquinoline?
The InChIKey is JXUPOFANTBOYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2/c24-19-12-10-16(11-13-19)21-15-25-26-22(17-6-2-1-3-7-17)14-18-8-4-5-9-20(18)23(21)26/h1-15H.
What are the key properties of 1-(4-chlorophenyl)-5-phenylpyrazolo[5,1-a]isoquinoline?
1-(4-chlorophenyl)-5-phenylpyrazolo[5,1-a]isoquinoline has a molecular weight of 354.84 g/mol, XLogP of 6.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-phenylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 102433500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).