[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1,3-diphenylpyrazole-5-carboxylate

C25H22N4O5S — CID 4856521

IUPAC[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1,3-diphenylpyrazole-5-carboxylate
SMILESCC(OC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C25H22N4O5S/c1-17(24(30)27-19-12-14-21(15-13-19)35(26,32)33)34-25(31)23-16-22(18-8-4-2-5-9-18)28-29(23)20-10-6-3-7-11-20/h2-17H,1H3,(H,27,30)(H2,26,32,33)
InChIKeyIJJMIGQDHFOAQD-UHFFFAOYSA-N
MW490.54 g/mol
LogP3.37
Rot. Bonds7

About [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1,3-diphenylpyrazole-5-carboxylate

[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1,3-diphenylpyrazole-5-carboxylate (PubChem CID 4856521) has the molecular formula C25H22N4O5S and a molecular weight of 490.54 g/mol. Its IUPAC name is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1,3-diphenylpyrazole-5-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1,3-diphenylpyrazole-5-carboxylate
PubChem CID4856521
Molecular FormulaC25H22N4O5S
Molecular Weight490.54 g/mol
Exact Mass490.13
IUPAC Name[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1,3-diphenylpyrazole-5-carboxylate
SMILESCC(OC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C25H22N4O5S/c1-17(24(30)27-19-12-14-21(15-13-19)35(26,32)33)34-25(31)23-16-22(18-8-4-2-5-9-18)28-29(23)20-10-6-3-7-11-20/h2-17H,1H3,(H,27,30)(H2,26,32,33)
InChIKeyIJJMIGQDHFOAQD-UHFFFAOYSA-N
XLogP3.37
TPSA133.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 1,3-diphenylpyrazole-5-carboxylate
CID 5207104
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 1,3-diphenylpyrazole-5-carboxylate
CID 7211158
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 26004581
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-bromobenzoate
CID 16539796
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate
CID 7833590
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pyridine-4-carboxylate
CID 7783819
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-acetamidobenzoate
CID 55315726
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate
CID 55325335
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] thiophene-2-carboxylate
CID 2570849
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
4-[6-oxo-3-(4-phenylphenyl)pyridazin-1-yl]benzenesulfonamide
CID 54612981
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate
CID 42984760

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1,3-diphenylpyrazole-5-carboxylate?
The IUPAC name of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1,3-diphenylpyrazole-5-carboxylate (CID 4856521) is [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1,3-diphenylpyrazole-5-carboxylate.
What is the SMILES notation for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1,3-diphenylpyrazole-5-carboxylate?
The canonical SMILES for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1,3-diphenylpyrazole-5-carboxylate is CC(OC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1,3-diphenylpyrazole-5-carboxylate?
The InChIKey is IJJMIGQDHFOAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O5S/c1-17(24(30)27-19-12-14-21(15-13-19)35(26,32)33)34-25(31)23-16-22(18-8-4-2-5-9-18)28-29(23)20-10-6-3-7-11-20/h2-17H,1H3,(H,27,30)(H2,26,32,33).
What are the key properties of [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1,3-diphenylpyrazole-5-carboxylate?
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1,3-diphenylpyrazole-5-carboxylate has a molecular weight of 490.54 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1,3-diphenylpyrazole-5-carboxylate is sourced from PubChem (CID 4856521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).