2-morpholin-4-ylethyl 5-(4-ethoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate

C24H28N4O6S — CID 155515015

IUPAC2-morpholin-4-ylethyl 5-(4-ethoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
SMILESCCOc1ccc(-c2cc(C(=O)OCCN3CCOCC3)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C24H28N4O6S/c1-2-33-20-7-3-18(4-8-20)23-17-22(24(29)34-16-13-27-11-14-32-15-12-27)26-28(23)19-5-9-21(10-6-19)35(25,30)31/h3-10,17H,2,11-16H2,1H3,(H2,25,30,31)
InChIKeyQZLYORBDDDBZHV-UHFFFAOYSA-N
MW500.58 g/mol
LogP2.07
Rot. Bonds9

About 2-morpholin-4-ylethyl 5-(4-ethoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate

2-morpholin-4-ylethyl 5-(4-ethoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate (PubChem CID 155515015) has the molecular formula C24H28N4O6S and a molecular weight of 500.58 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 5-(4-ethoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 5-(4-ethoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
PubChem CID155515015
Molecular FormulaC24H28N4O6S
Molecular Weight500.58 g/mol
Exact Mass500.17
IUPAC Name2-morpholin-4-ylethyl 5-(4-ethoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
SMILESCCOc1ccc(-c2cc(C(=O)OCCN3CCOCC3)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C24H28N4O6S/c1-2-33-20-7-3-18(4-8-20)23-17-22(24(29)34-16-13-27-11-14-32-15-12-27)26-28(23)19-5-9-21(10-6-19)35(25,30)31/h3-10,17H,2,11-16H2,1H3,(H2,25,30,31)
InChIKeyQZLYORBDDDBZHV-UHFFFAOYSA-N
XLogP2.07
TPSA125.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.58
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

Ethyl 1-benzyl-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 15991002
2-(2-Oxochromen-7-yl)oxyethyl 1-(4-sulfamoylphenyl)-5-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxylate
CID 137646026
2-(2-Oxochromen-7-yl)oxyethyl 5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 137649486
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 149810461
4-[5-(4-Ethoxyphenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155514534
4-[5-(4-Ethoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155530971
4-[5-(3-Methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155535611
5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 155542501
2-Morpholin-4-ylethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 155545912
4-[5-(4-Methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155553248
ethyl 5-(4-iodophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxylate
CID 53320110
2-(2-Oxochromen-4-yl)oxyethyl 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 137632978

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 5-(4-ethoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 5-(4-ethoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate (CID 155515015) is 2-morpholin-4-ylethyl 5-(4-ethoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 5-(4-ethoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 5-(4-ethoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate is CCOc1ccc(-c2cc(C(=O)OCCN3CCOCC3)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 2-morpholin-4-ylethyl 5-(4-ethoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
The InChIKey is QZLYORBDDDBZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O6S/c1-2-33-20-7-3-18(4-8-20)23-17-22(24(29)34-16-13-27-11-14-32-15-12-27)26-28(23)19-5-9-21(10-6-19)35(25,30)31/h3-10,17H,2,11-16H2,1H3,(H2,25,30,31).
What are the key properties of 2-morpholin-4-ylethyl 5-(4-ethoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
2-morpholin-4-ylethyl 5-(4-ethoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate has a molecular weight of 500.58 g/mol, XLogP of 2.07, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 5-(4-ethoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 155515015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).