3-[5-(4-chlorophenyl)-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one

C23H16ClN3O — CID 71455320

IUPAC3-[5-(4-chlorophenyl)-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1n1nc(-c2ccccc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H16ClN3O/c24-17-12-10-16(11-13-17)21-14-20(15-6-2-1-3-7-15)26-27(21)22-18-8-4-5-9-19(18)25-23(22)28/h1-14,22H,(H,25,28)
InChIKeyRKHSWSIOYRPFNT-UHFFFAOYSA-N
MW385.85 g/mol
LogP5.41
Rot. Bonds3

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

3-[5-(4-chlorophenyl)-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one (PubChem CID 71455320) has the molecular formula C23H16ClN3O and a molecular weight of 385.85 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one
PubChem CID71455320
Molecular FormulaC23H16ClN3O
Molecular Weight385.85 g/mol
Exact Mass385.10
IUPAC Name3-[5-(4-chlorophenyl)-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1n1nc(-c2ccccc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H16ClN3O/c24-17-12-10-16(11-13-17)21-14-20(15-6-2-1-3-7-15)26-27(21)22-18-8-4-5-9-19(18)25-23(22)28/h1-14,22H,(H,25,28)
InChIKeyRKHSWSIOYRPFNT-UHFFFAOYSA-N
XLogP5.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[5-(4-chlorophenyl)-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[5-(4-chlorophenyl)-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one (CID 71455320) is 3-[5-(4-chlorophenyl)-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[5-(4-chlorophenyl)-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1n1nc(-c2ccccc2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one?
The InChIKey is RKHSWSIOYRPFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O/c24-17-12-10-16(11-13-17)21-14-20(15-6-2-1-3-7-15)26-27(21)22-18-8-4-5-9-19(18)25-23(22)28/h1-14,22H,(H,25,28).
What are the key properties of 3-[5-(4-chlorophenyl)-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one?
3-[5-(4-chlorophenyl)-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one has a molecular weight of 385.85 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 71455320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).