6-(4-fluorophenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one

C20H17FN2O2 — CID 16764469

IUPAC6-(4-fluorophenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
SMILESCOc1ccc(-n2ncc3c2CC(c2ccc(F)cc2)CC3=O)cc1
InChIInChI=1S/C20H17FN2O2/c1-25-17-8-6-16(7-9-17)23-19-10-14(11-20(24)18(19)12-22-23)13-2-4-15(21)5-3-13/h2-9,12,14H,10-11H2,1H3
InChIKeyWOENDNMSLBAFLA-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.93
Rot. Bonds3

About 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one

6-(4-fluorophenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 16764469) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID16764469
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name6-(4-fluorophenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
SMILESCOc1ccc(-n2ncc3c2CC(c2ccc(F)cc2)CC3=O)cc1
InChIInChI=1S/C20H17FN2O2/c1-25-17-8-6-16(7-9-17)23-19-10-14(11-20(24)18(19)12-22-23)13-2-4-15(21)5-3-13/h2-9,12,14H,10-11H2,1H3
InChIKeyWOENDNMSLBAFLA-UHFFFAOYSA-N
XLogP3.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one (CID 16764469) is 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one is COc1ccc(-n2ncc3c2CC(c2ccc(F)cc2)CC3=O)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is WOENDNMSLBAFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-25-17-8-6-16(7-9-17)23-19-10-14(11-20(24)18(19)12-22-23)13-2-4-15(21)5-3-13/h2-9,12,14H,10-11H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one?
6-(4-fluorophenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 336.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 16764469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).