2-(4-fluorophenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline

C17H13FN2 — CID 101460170

IUPAC2-(4-fluorophenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline
SMILESFc1ccc(-c2cc3n(n2)CCc2ccccc2-3)cc1
InChIInChI=1S/C17H13FN2/c18-14-7-5-13(6-8-14)16-11-17-15-4-2-1-3-12(15)9-10-20(17)19-16/h1-8,11H,9-10H2
InChIKeyQWARQACOKHZRMF-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.91
Rot. Bonds1

About 2-(4-fluorophenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline

2-(4-fluorophenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline (PubChem CID 101460170) has the molecular formula C17H13FN2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline
PubChem CID101460170
Molecular FormulaC17H13FN2
Molecular Weight264.30 g/mol
Exact Mass264.11
IUPAC Name2-(4-fluorophenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline
SMILESFc1ccc(-c2cc3n(n2)CCc2ccccc2-3)cc1
InChIInChI=1S/C17H13FN2/c18-14-7-5-13(6-8-14)16-11-17-15-4-2-1-3-12(15)9-10-20(17)19-16/h1-8,11H,9-10H2
InChIKeyQWARQACOKHZRMF-UHFFFAOYSA-N
XLogP3.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Difenzoquat
CID 39425
1-Benzyl-4-(5-phenyl-pyrazol-1-yl)-piperidine
CID 21219154
3-(4-fluorophenyl)-5-methyl-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 44383830
1h-Pyrazolo[4,3-c]pyridine,3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-(phenylmethyl)-,hydrochloride
CID 45263015
1-(2,2-Difluoroethyl)-3-phenylindazole
CID 118568941
3-Phenyl-1-(2,2,2-trifluoroethyl)indazole
CID 118568942
1-benzyl-3-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methanesulfonic acid
CID 44383887
1h-Pyrazolo[4,3-c]pyridine,3-(4-fluorophenyl)-4,5,6,7-tetrahydro-5-(1-methylethyl)-1-(phenylmethyl)-
CID 44385342
1-Benzyl-4-(3-methyl-5-phenyl-pyrazol-1-yl)-piperidine
CID 44459452
3-(4-fluorophenyl)-5-methyl-1-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
CID 45263098
1h-Pyrazolo[4,3-c]pyridine,5-cyclopentyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-(phenylmethyl)-,hydrochloride
CID 45263110
1-benzyl-5-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
CID 45263126

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline?
The IUPAC name of 2-(4-fluorophenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline (CID 101460170) is 2-(4-fluorophenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 2-(4-fluorophenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 2-(4-fluorophenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline is Fc1ccc(-c2cc3n(n2)CCc2ccccc2-3)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline?
The InChIKey is QWARQACOKHZRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2/c18-14-7-5-13(6-8-14)16-11-17-15-4-2-1-3-12(15)9-10-20(17)19-16/h1-8,11H,9-10H2.
What are the key properties of 2-(4-fluorophenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline?
2-(4-fluorophenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline has a molecular weight of 264.30 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 101460170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).