5-[4-(cyclopropanecarbonylamino)-2-(cyclopropylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid

C25H26N4O7S — CID 83286174

IUPAC5-[4-(cyclopropanecarbonylamino)-2-(cyclopropylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)c(C)c2Oc2ccc(NC(=O)C3CC3)cc2S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C25H26N4O7S/c1-14-22(25(31)32)27-29(18-8-10-19(35-2)11-9-18)24(14)36-20-12-7-17(26-23(30)15-3-4-15)13-21(20)37(33,34)28-16-5-6-16/h7-13,15-16,28H,3-6H2,1-2H3,(H,26,30)(H,31,32)
InChIKeyQVMAHMFVKYFROU-UHFFFAOYSA-N
MW526.57 g/mol
LogP3.47
Rot. Bonds10

About 5-[4-(cyclopropanecarbonylamino)-2-(cyclopropylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid

5-[4-(cyclopropanecarbonylamino)-2-(cyclopropylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid (PubChem CID 83286174) has the molecular formula C25H26N4O7S and a molecular weight of 526.57 g/mol. Its IUPAC name is 5-[4-(cyclopropanecarbonylamino)-2-(cyclopropylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(cyclopropanecarbonylamino)-2-(cyclopropylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid
PubChem CID83286174
Molecular FormulaC25H26N4O7S
Molecular Weight526.57 g/mol
Exact Mass526.15
IUPAC Name5-[4-(cyclopropanecarbonylamino)-2-(cyclopropylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)c(C)c2Oc2ccc(NC(=O)C3CC3)cc2S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C25H26N4O7S/c1-14-22(25(31)32)27-29(18-8-10-19(35-2)11-9-18)24(14)36-20-12-7-17(26-23(30)15-3-4-15)13-21(20)37(33,34)28-16-5-6-16/h7-13,15-16,28H,3-6H2,1-2H3,(H,26,30)(H,31,32)
InChIKeyQVMAHMFVKYFROU-UHFFFAOYSA-N
XLogP3.47
TPSA148.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.57
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-(cyclopropanecarbonylamino)-2-(propylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid
CID 83286215
5-[2-(tert-butylsulfamoyl)-4-(cyclopropanecarbonylamino)phenoxy]-4-methyl-1-(4-methylphenyl)pyrazole-3-carboxylic acid
CID 83277467
5-[4-(cyclopropanecarbonylamino)-2-(2-methylpropylsulfamoyl)phenoxy]-4-methyl-1-(4-methylphenyl)pyrazole-3-carboxylic acid
CID 83272727
5-[2-(cyclopropylsulfamoyl)-4-(2-methylbutanoylamino)phenoxy]-4-methyl-1-phenylpyrazole-3-carboxylic acid
CID 91633408
5-[2-(cyclopropylsulfamoyl)-4-(thiophene-2-carbonylamino)phenoxy]-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid
CID 83276587
5-[4-(cyclopentanecarbonylamino)-2-(propylsulfamoyl)phenoxy]-4-methyl-1-phenylpyrazole-3-carboxylic acid
CID 83286218
5-[2-(butan-2-ylsulfamoyl)-4-(cyclopropanecarbonylamino)phenoxy]-1-(3-fluorophenyl)-4-methylpyrazole-3-carboxylic acid
CID 83286141
5-[4-(cyclobutanecarbonylamino)-2-morpholin-4-ylsulfonylphenoxy]-4-methyl-1-phenylpyrazole-3-carboxylic acid
CID 83285933
5-[2-[[(2S)-butan-2-yl]sulfamoyl]-4-[(4-methoxybenzoyl)amino]phenoxy]-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid
CID 98439891
5-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-[(4-methoxybenzoyl)amino]phenoxy]-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid
CID 98439890
5-[4-(3,3-dimethylbutanoylamino)-2-(furan-2-ylmethylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid
CID 83276754
5-[2-(furan-2-ylmethylsulfamoyl)-4-[(4-methoxybenzoyl)amino]phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid
CID 91635559

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopropanecarbonylamino)-2-(cyclopropylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[4-(cyclopropanecarbonylamino)-2-(cyclopropylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid (CID 83286174) is 5-[4-(cyclopropanecarbonylamino)-2-(cyclopropylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[4-(cyclopropanecarbonylamino)-2-(cyclopropylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[4-(cyclopropanecarbonylamino)-2-(cyclopropylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid is COc1ccc(-n2nc(C(=O)O)c(C)c2Oc2ccc(NC(=O)C3CC3)cc2S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 5-[4-(cyclopropanecarbonylamino)-2-(cyclopropylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid?
The InChIKey is QVMAHMFVKYFROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O7S/c1-14-22(25(31)32)27-29(18-8-10-19(35-2)11-9-18)24(14)36-20-12-7-17(26-23(30)15-3-4-15)13-21(20)37(33,34)28-16-5-6-16/h7-13,15-16,28H,3-6H2,1-2H3,(H,26,30)(H,31,32).
What are the key properties of 5-[4-(cyclopropanecarbonylamino)-2-(cyclopropylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid?
5-[4-(cyclopropanecarbonylamino)-2-(cyclopropylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid has a molecular weight of 526.57 g/mol, XLogP of 3.47, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopropanecarbonylamino)-2-(cyclopropylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 83286174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).