[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate

C28H26N4O4 — CID 41465232

IUPAC[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C28H26N4O4/c1-19-9-11-20(12-10-19)26-24(17-32(30-26)23-7-5-4-6-8-23)28(35)36-18-25(33)29-22-15-13-21(14-16-22)27(34)31(2)3/h4-17H,18H2,1-3H3,(H,29,33)
InChIKeyISZQPAXFCAYHLB-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.35
Rot. Bonds7

About [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate (PubChem CID 41465232) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
PubChem CID41465232
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C28H26N4O4/c1-19-9-11-20(12-10-19)26-24(17-32(30-26)23-7-5-4-6-8-23)28(35)36-18-25(33)29-22-15-13-21(14-16-22)27(34)31(2)3/h4-17H,18H2,1-3H3,(H,29,33)
InChIKeyISZQPAXFCAYHLB-UHFFFAOYSA-N
XLogP4.35
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(methylamino)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 8908453
[2-oxo-2-(4-sulfamoylanilino)ethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2402709
[2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 7847187
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2402483
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 2593655
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate
CID 46829106
[2-(4-acetamidoanilino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 16530570
ethyl 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoate
CID 1355724
[2-(butylamino)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2434472
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2403299
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 25417145
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771946

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate?
The IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate (CID 41465232) is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1.
What is the InChIKey of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate?
The InChIKey is ISZQPAXFCAYHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-19-9-11-20(12-10-19)26-24(17-32(30-26)23-7-5-4-6-8-23)28(35)36-18-25(33)29-22-15-13-21(14-16-22)27(34)31(2)3/h4-17H,18H2,1-3H3,(H,29,33).
What are the key properties of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate?
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate has a molecular weight of 482.54 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 41465232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).