3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-6,7-dihydro-5H-indazol-4-one

C19H13Cl2FN2O — CID 57400251

IUPAC3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2nn(-c3ccccc3F)c(-c3ccc(Cl)c(Cl)c3)c21
InChIInChI=1S/C19H13Cl2FN2O/c20-12-9-8-11(10-13(12)21)19-18-15(5-3-7-17(18)25)23-24(19)16-6-2-1-4-14(16)22/h1-2,4,6,8-10H,3,5,7H2
InChIKeyGFCLXKMDXIFOGM-UHFFFAOYSA-N
MW375.23 g/mol
LogP5.50
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-6,7-dihydro-5H-indazol-4-one

3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 57400251) has the molecular formula C19H13Cl2FN2O and a molecular weight of 375.23 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID57400251
Molecular FormulaC19H13Cl2FN2O
Molecular Weight375.23 g/mol
Exact Mass374.04
IUPAC Name3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2nn(-c3ccccc3F)c(-c3ccc(Cl)c(Cl)c3)c21
InChIInChI=1S/C19H13Cl2FN2O/c20-12-9-8-11(10-13(12)21)19-18-15(5-3-7-17(18)25)23-24(19)16-6-2-1-4-14(16)22/h1-2,4,6,8-10H,3,5,7H2
InChIKeyGFCLXKMDXIFOGM-UHFFFAOYSA-N
XLogP5.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.23
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-6,7-dihydro-5H-indazol-4-one (CID 57400251) is 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-6,7-dihydro-5H-indazol-4-one is O=C1CCCc2nn(-c3ccccc3F)c(-c3ccc(Cl)c(Cl)c3)c21.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is GFCLXKMDXIFOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FN2O/c20-12-9-8-11(10-13(12)21)19-18-15(5-3-7-17(18)25)23-24(19)16-6-2-1-4-14(16)22/h1-2,4,6,8-10H,3,5,7H2.
What are the key properties of 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-6,7-dihydro-5H-indazol-4-one?
3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 375.23 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 57400251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).