5-chloro-3-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1,3-dihydroindol-2-one

C24H17Cl2N3O2 — CID 71457098

IUPAC5-chloro-3-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1,3-dihydroindol-2-one
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)n(C3C(=O)Nc4ccc(Cl)cc43)n2)cc1
InChIInChI=1S/C24H17Cl2N3O2/c1-31-18-9-4-14(5-10-18)21-13-22(15-2-6-16(25)7-3-15)29(28-21)23-19-12-17(26)8-11-20(19)27-24(23)30/h2-13,23H,1H3,(H,27,30)
InChIKeyMSUHFDFSMGJUGL-UHFFFAOYSA-N
MW450.33 g/mol
LogP6.07
Rot. Bonds4

About 5-chloro-3-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1,3-dihydroindol-2-one

5-chloro-3-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1,3-dihydroindol-2-one (PubChem CID 71457098) has the molecular formula C24H17Cl2N3O2 and a molecular weight of 450.33 g/mol. Its IUPAC name is 5-chloro-3-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1,3-dihydroindol-2-one
PubChem CID71457098
Molecular FormulaC24H17Cl2N3O2
Molecular Weight450.33 g/mol
Exact Mass449.07
IUPAC Name5-chloro-3-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1,3-dihydroindol-2-one
SMILESCOc1ccc(-c2cc(-c3ccc(Cl)cc3)n(C3C(=O)Nc4ccc(Cl)cc43)n2)cc1
InChIInChI=1S/C24H17Cl2N3O2/c1-31-18-9-4-14(5-10-18)21-13-22(15-2-6-16(25)7-3-15)29(28-21)23-19-12-17(26)8-11-20(19)27-24(23)30/h2-13,23H,1H3,(H,27,30)
InChIKeyMSUHFDFSMGJUGL-UHFFFAOYSA-N
XLogP6.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.33
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1,3-dihydroindol-2-one (CID 71457098) is 5-chloro-3-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1,3-dihydroindol-2-one is COc1ccc(-c2cc(-c3ccc(Cl)cc3)n(C3C(=O)Nc4ccc(Cl)cc43)n2)cc1.
What is the InChIKey of 5-chloro-3-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1,3-dihydroindol-2-one?
The InChIKey is MSUHFDFSMGJUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3O2/c1-31-18-9-4-14(5-10-18)21-13-22(15-2-6-16(25)7-3-15)29(28-21)23-19-12-17(26)8-11-20(19)27-24(23)30/h2-13,23H,1H3,(H,27,30).
What are the key properties of 5-chloro-3-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1,3-dihydroindol-2-one?
5-chloro-3-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1,3-dihydroindol-2-one has a molecular weight of 450.33 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-1-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 71457098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).