1-[2-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]indole-2,3-dione

C25H17Cl2N3O3 — CID 66489035

IUPAC1-[2-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]indole-2,3-dione
SMILESO=C1C(=O)N(CC(=O)N2N=C(c3ccc(Cl)cc3)CC2c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C25H17Cl2N3O3/c26-17-9-5-15(6-10-17)20-13-22(16-7-11-18(27)12-8-16)30(28-20)23(31)14-29-21-4-2-1-3-19(21)24(32)25(29)33/h1-12,22H,13-14H2
InChIKeyPUAFGUKQZQWQTK-UHFFFAOYSA-N
MW478.34 g/mol
LogP4.90
Rot. Bonds4

About 1-[2-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]indole-2,3-dione

1-[2-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]indole-2,3-dione (PubChem CID 66489035) has the molecular formula C25H17Cl2N3O3 and a molecular weight of 478.34 g/mol. Its IUPAC name is 1-[2-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[2-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]indole-2,3-dione
PubChem CID66489035
Molecular FormulaC25H17Cl2N3O3
Molecular Weight478.34 g/mol
Exact Mass477.06
IUPAC Name1-[2-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]indole-2,3-dione
SMILESO=C1C(=O)N(CC(=O)N2N=C(c3ccc(Cl)cc3)CC2c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C25H17Cl2N3O3/c26-17-9-5-15(6-10-17)20-13-22(16-7-11-18(27)12-8-16)30(28-20)23(31)14-29-21-4-2-1-3-19(21)24(32)25(29)33/h1-12,22H,13-14H2
InChIKeyPUAFGUKQZQWQTK-UHFFFAOYSA-N
XLogP4.90
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.34
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[2-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]indole-2,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-[5-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]indole-2,3-dione
CID 66488716
5-chloro-1-[2-[3-[4-(dimethylamino)phenyl]-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]indole-2,3-dione
CID 66488342
1-[2-[3-(3,4-dimethoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]indole-2,3-dione
CID 66488561
5-chloro-1-[2-(5-naphthalen-2-yl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]indole-2,3-dione
CID 66488850
1-[5-(4-chlorophenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 25147362
(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 101242618
1-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 14741508
3-[2-[3-(4-chlorophenyl)-5-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 66488133
1-[(3R)-5-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 139086729
2-(4-benzylpiperidin-1-yl)-1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 46031319
1-[(3R)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone
CID 93226641
5-[(3R)-3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 7058560

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]indole-2,3-dione?
The IUPAC name of 1-[2-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]indole-2,3-dione (CID 66489035) is 1-[2-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]indole-2,3-dione.
What is the SMILES notation for 1-[2-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]indole-2,3-dione?
The canonical SMILES for 1-[2-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]indole-2,3-dione is O=C1C(=O)N(CC(=O)N2N=C(c3ccc(Cl)cc3)CC2c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 1-[2-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]indole-2,3-dione?
The InChIKey is PUAFGUKQZQWQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2N3O3/c26-17-9-5-15(6-10-17)20-13-22(16-7-11-18(27)12-8-16)30(28-20)23(31)14-29-21-4-2-1-3-19(21)24(32)25(29)33/h1-12,22H,13-14H2.
What are the key properties of 1-[2-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]indole-2,3-dione?
1-[2-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]indole-2,3-dione has a molecular weight of 478.34 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]indole-2,3-dione is sourced from PubChem (CID 66489035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).