[2-(2,3-dichloroanilino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate

C24H19Cl2N3O3 — CID 55561437

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
SMILESO=C(COC(=O)C1=NN(c2ccccc2)C(c2ccccc2)C1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C24H19Cl2N3O3/c25-18-12-7-13-19(23(18)26)27-22(30)15-32-24(31)20-14-21(16-8-3-1-4-9-16)29(28-20)17-10-5-2-6-11-17/h1-13,21H,14-15H2,(H,27,30)
InChIKeyKGYHEJUVLOSZRS-UHFFFAOYSA-N
MW468.34 g/mol
LogP5.48
Rot. Bonds6

About [2-(2,3-dichloroanilino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate

[2-(2,3-dichloroanilino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate (PubChem CID 55561437) has the molecular formula C24H19Cl2N3O3 and a molecular weight of 468.34 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
PubChem CID55561437
Molecular FormulaC24H19Cl2N3O3
Molecular Weight468.34 g/mol
Exact Mass467.08
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
SMILESO=C(COC(=O)C1=NN(c2ccccc2)C(c2ccccc2)C1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C24H19Cl2N3O3/c25-18-12-7-13-19(23(18)26)27-22(30)15-32-24(31)20-14-21(16-8-3-1-4-9-16)29(28-20)17-10-5-2-6-11-17/h1-13,21H,14-15H2,(H,27,30)
InChIKeyKGYHEJUVLOSZRS-UHFFFAOYSA-N
XLogP5.48
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.34
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,3-dichloroanilino)-2-oxoethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 27727767
[2-(2,3-dichloroanilino)-2-oxoethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 4801442
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate
CID 8015070
(3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 36628252
[1-(carbamoylamino)-1-oxopropan-2-yl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 55560895
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 120761039
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633362
cis-[2-(2,3-dichloroanilino)-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 8020700
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782625
(3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95656986
[2-(2,3-dichloroanilino)-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727433
[2-(2,3-dichloroanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7581681

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate (CID 55561437) is [2-(2,3-dichloroanilino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate is O=C(COC(=O)C1=NN(c2ccccc2)C(c2ccccc2)C1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is KGYHEJUVLOSZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O3/c25-18-12-7-13-19(23(18)26)27-22(30)15-32-24(31)20-14-21(16-8-3-1-4-9-16)29(28-20)17-10-5-2-6-11-17/h1-13,21H,14-15H2,(H,27,30).
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
[2-(2,3-dichloroanilino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 468.34 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroanilino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 55561437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).