4-(4-bromophenyl)-6-(4-fluorophenyl)-1,2,4,5-tetrahydroindazol-3-one

C19H14BrFN2O — CID 73349226

IUPAC4-(4-bromophenyl)-6-(4-fluorophenyl)-1,2,4,5-tetrahydroindazol-3-one
SMILESO=c1[nH][nH]c2c1C(c1ccc(Br)cc1)CC(c1ccc(F)cc1)=C2
InChIInChI=1S/C19H14BrFN2O/c20-14-5-1-12(2-6-14)16-9-13(11-3-7-15(21)8-4-11)10-17-18(16)19(24)23-22-17/h1-8,10,16H,9H2,(H2,22,23,24)
InChIKeyUGTAKHAPZRYHPR-UHFFFAOYSA-N
MW385.24 g/mol
LogP4.68
Rot. Bonds2

About 4-(4-bromophenyl)-6-(4-fluorophenyl)-1,2,4,5-tetrahydroindazol-3-one

4-(4-bromophenyl)-6-(4-fluorophenyl)-1,2,4,5-tetrahydroindazol-3-one (PubChem CID 73349226) has the molecular formula C19H14BrFN2O and a molecular weight of 385.24 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-(4-fluorophenyl)-1,2,4,5-tetrahydroindazol-3-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-(4-fluorophenyl)-1,2,4,5-tetrahydroindazol-3-one
PubChem CID73349226
Molecular FormulaC19H14BrFN2O
Molecular Weight385.24 g/mol
Exact Mass384.03
IUPAC Name4-(4-bromophenyl)-6-(4-fluorophenyl)-1,2,4,5-tetrahydroindazol-3-one
SMILESO=c1[nH][nH]c2c1C(c1ccc(Br)cc1)CC(c1ccc(F)cc1)=C2
InChIInChI=1S/C19H14BrFN2O/c20-14-5-1-12(2-6-14)16-9-13(11-3-7-15(21)8-4-11)10-17-18(16)19(24)23-22-17/h1-8,10,16H,9H2,(H2,22,23,24)
InChIKeyUGTAKHAPZRYHPR-UHFFFAOYSA-N
XLogP4.68
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6-(4-fluorophenyl)-1,2,4,5-tetrahydroindazol-3-one?
The IUPAC name of 4-(4-bromophenyl)-6-(4-fluorophenyl)-1,2,4,5-tetrahydroindazol-3-one (CID 73349226) is 4-(4-bromophenyl)-6-(4-fluorophenyl)-1,2,4,5-tetrahydroindazol-3-one.
What is the SMILES notation for 4-(4-bromophenyl)-6-(4-fluorophenyl)-1,2,4,5-tetrahydroindazol-3-one?
The canonical SMILES for 4-(4-bromophenyl)-6-(4-fluorophenyl)-1,2,4,5-tetrahydroindazol-3-one is O=c1[nH][nH]c2c1C(c1ccc(Br)cc1)CC(c1ccc(F)cc1)=C2.
What is the InChIKey of 4-(4-bromophenyl)-6-(4-fluorophenyl)-1,2,4,5-tetrahydroindazol-3-one?
The InChIKey is UGTAKHAPZRYHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrFN2O/c20-14-5-1-12(2-6-14)16-9-13(11-3-7-15(21)8-4-11)10-17-18(16)19(24)23-22-17/h1-8,10,16H,9H2,(H2,22,23,24).
What are the key properties of 4-(4-bromophenyl)-6-(4-fluorophenyl)-1,2,4,5-tetrahydroindazol-3-one?
4-(4-bromophenyl)-6-(4-fluorophenyl)-1,2,4,5-tetrahydroindazol-3-one has a molecular weight of 385.24 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6-(4-fluorophenyl)-1,2,4,5-tetrahydroindazol-3-one is sourced from PubChem (CID 73349226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).