[5-amino-1-(4-ethoxyphenyl)sulfonylpyrazol-3-yl] 4-methoxybenzoate

C19H19N3O6S — CID 166627901

IUPAC[5-amino-1-(4-ethoxyphenyl)sulfonylpyrazol-3-yl] 4-methoxybenzoate
SMILESCCOc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(OC)cc3)cc2N)cc1
InChIInChI=1S/C19H19N3O6S/c1-3-27-15-8-10-16(11-9-15)29(24,25)22-17(20)12-18(21-22)28-19(23)13-4-6-14(26-2)7-5-13/h4-12H,3,20H2,1-2H3
InChIKeyPGOFWAIIWHHZPE-UHFFFAOYSA-N
MW417.44 g/mol
LogP2.33
Rot. Bonds7

About [5-amino-1-(4-ethoxyphenyl)sulfonylpyrazol-3-yl] 4-methoxybenzoate

[5-amino-1-(4-ethoxyphenyl)sulfonylpyrazol-3-yl] 4-methoxybenzoate (PubChem CID 166627901) has the molecular formula C19H19N3O6S and a molecular weight of 417.44 g/mol. Its IUPAC name is [5-amino-1-(4-ethoxyphenyl)sulfonylpyrazol-3-yl] 4-methoxybenzoate.

Molecular Properties

Compound Name[5-amino-1-(4-ethoxyphenyl)sulfonylpyrazol-3-yl] 4-methoxybenzoate
PubChem CID166627901
Molecular FormulaC19H19N3O6S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC Name[5-amino-1-(4-ethoxyphenyl)sulfonylpyrazol-3-yl] 4-methoxybenzoate
SMILESCCOc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(OC)cc3)cc2N)cc1
InChIInChI=1S/C19H19N3O6S/c1-3-27-15-8-10-16(11-9-15)29(24,25)22-17(20)12-18(21-22)28-19(23)13-4-6-14(26-2)7-5-13/h4-12H,3,20H2,1-2H3
InChIKeyPGOFWAIIWHHZPE-UHFFFAOYSA-N
XLogP2.33
TPSA122.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] 4-nitrobenzoate
CID 4124103
[5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] 3-methylbenzoate
CID 4225458
[5-amino-1-(4-chlorophenyl)sulfonylpyrazol-3-yl] 3-methoxybenzoate
CID 100818513
[5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] naphthalene-2-carboxylate
CID 4225666
[5-amino-1-(4-fluorophenyl)sulfonylpyrazol-3-yl] 4-aminobenzoate
CID 166625264
[5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] 2-nitrobenzoate
CID 45485589
[5-amino-1-(4-methylphenyl)sulfonylpyrazol-3-yl] 4-nitrobenzoate
CID 4164187
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
[5-amino-1-(4-chlorophenyl)sulfonylpyrazol-3-yl] 3-fluorobenzoate
CID 3648038
1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine
CID 20873558
3-(4-ethoxyphenyl)-1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-5-amine
CID 20873573
[5-amino-1-(4-bromophenyl)sulfonylpyrazol-3-yl] thiophene-2-carboxylate
CID 5077198

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(4-ethoxyphenyl)sulfonylpyrazol-3-yl] 4-methoxybenzoate?
The IUPAC name of [5-amino-1-(4-ethoxyphenyl)sulfonylpyrazol-3-yl] 4-methoxybenzoate (CID 166627901) is [5-amino-1-(4-ethoxyphenyl)sulfonylpyrazol-3-yl] 4-methoxybenzoate.
What is the SMILES notation for [5-amino-1-(4-ethoxyphenyl)sulfonylpyrazol-3-yl] 4-methoxybenzoate?
The canonical SMILES for [5-amino-1-(4-ethoxyphenyl)sulfonylpyrazol-3-yl] 4-methoxybenzoate is CCOc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(OC)cc3)cc2N)cc1.
What is the InChIKey of [5-amino-1-(4-ethoxyphenyl)sulfonylpyrazol-3-yl] 4-methoxybenzoate?
The InChIKey is PGOFWAIIWHHZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O6S/c1-3-27-15-8-10-16(11-9-15)29(24,25)22-17(20)12-18(21-22)28-19(23)13-4-6-14(26-2)7-5-13/h4-12H,3,20H2,1-2H3.
What are the key properties of [5-amino-1-(4-ethoxyphenyl)sulfonylpyrazol-3-yl] 4-methoxybenzoate?
[5-amino-1-(4-ethoxyphenyl)sulfonylpyrazol-3-yl] 4-methoxybenzoate has a molecular weight of 417.44 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(4-ethoxyphenyl)sulfonylpyrazol-3-yl] 4-methoxybenzoate is sourced from PubChem (CID 166627901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).