5-cyclopropyl-9-fluoro-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline

C21H17FN2O — CID 135061852

IUPAC5-cyclopropyl-9-fluoro-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline
SMILESCOc1ccc(-c2cc3c4cc(F)ccc4cc(C4CC4)n3n2)cc1
InChIInChI=1S/C21H17FN2O/c1-25-17-8-5-13(6-9-17)19-12-21-18-11-16(22)7-4-15(18)10-20(14-2-3-14)24(21)23-19/h4-12,14H,2-3H2,1H3
InChIKeyHWPHUMUWGGBBGH-UHFFFAOYSA-N
MW332.38 g/mol
LogP5.18
Rot. Bonds3

About 5-cyclopropyl-9-fluoro-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline

5-cyclopropyl-9-fluoro-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline (PubChem CID 135061852) has the molecular formula C21H17FN2O and a molecular weight of 332.38 g/mol. Its IUPAC name is 5-cyclopropyl-9-fluoro-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name5-cyclopropyl-9-fluoro-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline
PubChem CID135061852
Molecular FormulaC21H17FN2O
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name5-cyclopropyl-9-fluoro-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline
SMILESCOc1ccc(-c2cc3c4cc(F)ccc4cc(C4CC4)n3n2)cc1
InChIInChI=1S/C21H17FN2O/c1-25-17-8-5-13(6-9-17)19-12-21-18-11-16(22)7-4-15(18)10-20(14-2-3-14)24(21)23-19/h4-12,14H,2-3H2,1H3
InChIKeyHWPHUMUWGGBBGH-UHFFFAOYSA-N
XLogP5.18
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.38
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-9-fluoro-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline?
The IUPAC name of 5-cyclopropyl-9-fluoro-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline (CID 135061852) is 5-cyclopropyl-9-fluoro-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 5-cyclopropyl-9-fluoro-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 5-cyclopropyl-9-fluoro-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline is COc1ccc(-c2cc3c4cc(F)ccc4cc(C4CC4)n3n2)cc1.
What is the InChIKey of 5-cyclopropyl-9-fluoro-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline?
The InChIKey is HWPHUMUWGGBBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O/c1-25-17-8-5-13(6-9-17)19-12-21-18-11-16(22)7-4-15(18)10-20(14-2-3-14)24(21)23-19/h4-12,14H,2-3H2,1H3.
What are the key properties of 5-cyclopropyl-9-fluoro-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline?
5-cyclopropyl-9-fluoro-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline has a molecular weight of 332.38 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-9-fluoro-2-(4-methoxyphenyl)pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 135061852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).