2-(4-fluorophenyl)-5-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

C22H17FN2O — CID 3131197

IUPAC2-(4-fluorophenyl)-5-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESFc1ccc(C2=NN3C(C2)c2ccccc2OC3c2ccccc2)cc1
InChIInChI=1S/C22H17FN2O/c23-17-12-10-15(11-13-17)19-14-20-18-8-4-5-9-21(18)26-22(25(20)24-19)16-6-2-1-3-7-16/h1-13,20,22H,14H2
InChIKeyZHFHCBMXBKQWTN-UHFFFAOYSA-N
MW344.39 g/mol
LogP5.07
Rot. Bonds2

About 2-(4-fluorophenyl)-5-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

2-(4-fluorophenyl)-5-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 3131197) has the molecular formula C22H17FN2O and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID3131197
Molecular FormulaC22H17FN2O
Molecular Weight344.39 g/mol
Exact Mass344.13
IUPAC Name2-(4-fluorophenyl)-5-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESFc1ccc(C2=NN3C(C2)c2ccccc2OC3c2ccccc2)cc1
InChIInChI=1S/C22H17FN2O/c23-17-12-10-15(11-13-17)19-14-20-18-8-4-5-9-21(18)26-22(25(20)24-19)16-6-2-1-3-7-16/h1-13,20,22H,14H2
InChIKeyZHFHCBMXBKQWTN-UHFFFAOYSA-N
XLogP5.07
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.39
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of 2-(4-fluorophenyl)-5-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CID 3131197) is 2-(4-fluorophenyl)-5-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for 2-(4-fluorophenyl)-5-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is Fc1ccc(C2=NN3C(C2)c2ccccc2OC3c2ccccc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is ZHFHCBMXBKQWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O/c23-17-12-10-15(11-13-17)19-14-20-18-8-4-5-9-21(18)26-22(25(20)24-19)16-6-2-1-3-7-16/h1-13,20,22H,14H2.
What are the key properties of 2-(4-fluorophenyl)-5-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
2-(4-fluorophenyl)-5-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 344.39 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 3131197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).