2-[2-(3,5-dichlorophenyl)-3-hydroxy-5-oxo-1H-pyrazol-4-yl]indol-3-one

C17H9Cl2N3O3 — CID 1334022

IUPAC2-[2-(3,5-dichlorophenyl)-3-hydroxy-5-oxo-1H-pyrazol-4-yl]indol-3-one
SMILESO=C1C(c2c(O)n(-c3cc(Cl)cc(Cl)c3)[nH]c2=O)=Nc2ccccc21
InChIInChI=1S/C17H9Cl2N3O3/c18-8-5-9(19)7-10(6-8)22-17(25)13(16(24)21-22)14-15(23)11-3-1-2-4-12(11)20-14/h1-7,25H,(H,21,24)
InChIKeyQQSRQGZZNAECES-UHFFFAOYSA-N
MW374.18 g/mol
LogP3.50
Rot. Bonds2

About 2-[2-(3,5-dichlorophenyl)-3-hydroxy-5-oxo-1H-pyrazol-4-yl]indol-3-one

2-[2-(3,5-dichlorophenyl)-3-hydroxy-5-oxo-1H-pyrazol-4-yl]indol-3-one (PubChem CID 1334022) has the molecular formula C17H9Cl2N3O3 and a molecular weight of 374.18 g/mol. Its IUPAC name is 2-[2-(3,5-dichlorophenyl)-3-hydroxy-5-oxo-1H-pyrazol-4-yl]indol-3-one.

Molecular Properties

Compound Name2-[2-(3,5-dichlorophenyl)-3-hydroxy-5-oxo-1H-pyrazol-4-yl]indol-3-one
PubChem CID1334022
Molecular FormulaC17H9Cl2N3O3
Molecular Weight374.18 g/mol
Exact Mass373.00
IUPAC Name2-[2-(3,5-dichlorophenyl)-3-hydroxy-5-oxo-1H-pyrazol-4-yl]indol-3-one
SMILESO=C1C(c2c(O)n(-c3cc(Cl)cc(Cl)c3)[nH]c2=O)=Nc2ccccc21
InChIInChI=1S/C17H9Cl2N3O3/c18-8-5-9(19)7-10(6-8)22-17(25)13(16(24)21-22)14-15(23)11-3-1-2-4-12(11)20-14/h1-7,25H,(H,21,24)
InChIKeyQQSRQGZZNAECES-UHFFFAOYSA-N
XLogP3.50
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.18
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dichlorophenyl)-3-hydroxy-5-oxo-1H-pyrazol-4-yl]indol-3-one?
The IUPAC name of 2-[2-(3,5-dichlorophenyl)-3-hydroxy-5-oxo-1H-pyrazol-4-yl]indol-3-one (CID 1334022) is 2-[2-(3,5-dichlorophenyl)-3-hydroxy-5-oxo-1H-pyrazol-4-yl]indol-3-one.
What is the SMILES notation for 2-[2-(3,5-dichlorophenyl)-3-hydroxy-5-oxo-1H-pyrazol-4-yl]indol-3-one?
The canonical SMILES for 2-[2-(3,5-dichlorophenyl)-3-hydroxy-5-oxo-1H-pyrazol-4-yl]indol-3-one is O=C1C(c2c(O)n(-c3cc(Cl)cc(Cl)c3)[nH]c2=O)=Nc2ccccc21.
What is the InChIKey of 2-[2-(3,5-dichlorophenyl)-3-hydroxy-5-oxo-1H-pyrazol-4-yl]indol-3-one?
The InChIKey is QQSRQGZZNAECES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2N3O3/c18-8-5-9(19)7-10(6-8)22-17(25)13(16(24)21-22)14-15(23)11-3-1-2-4-12(11)20-14/h1-7,25H,(H,21,24).
What are the key properties of 2-[2-(3,5-dichlorophenyl)-3-hydroxy-5-oxo-1H-pyrazol-4-yl]indol-3-one?
2-[2-(3,5-dichlorophenyl)-3-hydroxy-5-oxo-1H-pyrazol-4-yl]indol-3-one has a molecular weight of 374.18 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dichlorophenyl)-3-hydroxy-5-oxo-1H-pyrazol-4-yl]indol-3-one is sourced from PubChem (CID 1334022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).