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

C19H14Cl2N2O2 — CID 57391515

IUPAC3-(3,4-dichlorophenyl)-2-(4-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2nn(-c3ccc(O)cc3)c(-c3ccc(Cl)c(Cl)c3)c21
InChIInChI=1S/C19H14Cl2N2O2/c20-14-9-4-11(10-15(14)21)19-18-16(2-1-3-17(18)25)22-23(19)12-5-7-13(24)8-6-12/h4-10,24H,1-3H2
InChIKeyMTWDKNHVPYBAHF-UHFFFAOYSA-N
MW373.24 g/mol
LogP5.07
Rot. Bonds2

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

3-(3,4-dichlorophenyl)-2-(4-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 57391515) has the molecular formula C19H14Cl2N2O2 and a molecular weight of 373.24 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-(4-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-(4-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID57391515
Molecular FormulaC19H14Cl2N2O2
Molecular Weight373.24 g/mol
Exact Mass372.04
IUPAC Name3-(3,4-dichlorophenyl)-2-(4-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2nn(-c3ccc(O)cc3)c(-c3ccc(Cl)c(Cl)c3)c21
InChIInChI=1S/C19H14Cl2N2O2/c20-14-9-4-11(10-15(14)21)19-18-16(2-1-3-17(18)25)22-23(19)12-5-7-13(24)8-6-12/h4-10,24H,1-3H2
InChIKeyMTWDKNHVPYBAHF-UHFFFAOYSA-N
XLogP5.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.24
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2-(4-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-(4-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one (CID 57391515) is 3-(3,4-dichlorophenyl)-2-(4-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-(4-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-(4-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one is O=C1CCCc2nn(-c3ccc(O)cc3)c(-c3ccc(Cl)c(Cl)c3)c21.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-(4-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is MTWDKNHVPYBAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O2/c20-14-9-4-11(10-15(14)21)19-18-16(2-1-3-17(18)25)22-23(19)12-5-7-13(24)8-6-12/h4-10,24H,1-3H2.
What are the key properties of 3-(3,4-dichlorophenyl)-2-(4-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one?
3-(3,4-dichlorophenyl)-2-(4-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 373.24 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2-(4-hydroxyphenyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 57391515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).