1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinoline

C22H14FN3 — CID 16734030

IUPAC1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinoline
SMILESFc1ccc(-n2ncc3cc(-c4ccccc4)c4cnccc4c32)cc1
InChIInChI=1S/C22H14FN3/c23-17-6-8-18(9-7-17)26-22-16(13-25-26)12-20(15-4-2-1-3-5-15)21-14-24-11-10-19(21)22/h1-14H
InChIKeySTZXCFMIANXZCW-UHFFFAOYSA-N
MW339.37 g/mol
LogP5.38
Rot. Bonds2

About 1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinoline

1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinoline (PubChem CID 16734030) has the molecular formula C22H14FN3 and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinoline.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinoline
PubChem CID16734030
Molecular FormulaC22H14FN3
Molecular Weight339.37 g/mol
Exact Mass339.12
IUPAC Name1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinoline
SMILESFc1ccc(-n2ncc3cc(-c4ccccc4)c4cnccc4c32)cc1
InChIInChI=1S/C22H14FN3/c23-17-6-8-18(9-7-17)26-22-16(13-25-26)12-20(15-4-2-1-3-5-15)21-14-24-11-10-19(21)22/h1-14H
InChIKeySTZXCFMIANXZCW-UHFFFAOYSA-N
XLogP5.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.37
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinoline?
The IUPAC name of 1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinoline (CID 16734030) is 1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinoline.
What is the SMILES notation for 1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinoline?
The canonical SMILES for 1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinoline is Fc1ccc(-n2ncc3cc(-c4ccccc4)c4cnccc4c32)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinoline?
The InChIKey is STZXCFMIANXZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN3/c23-17-6-8-18(9-7-17)26-22-16(13-25-26)12-20(15-4-2-1-3-5-15)21-14-24-11-10-19(21)22/h1-14H.
What are the key properties of 1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinoline?
1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinoline has a molecular weight of 339.37 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinoline is sourced from PubChem (CID 16734030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).