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

C25H28N4O7S — CID 83286215

IUPAC5-[4-(cyclopropanecarbonylamino)-2-(propylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid
SMILESCCCNS(=O)(=O)c1cc(NC(=O)C2CC2)ccc1Oc1c(C)c(C(=O)O)nn1-c1ccc(OC)cc1
InChIInChI=1S/C25H28N4O7S/c1-4-13-26-37(33,34)21-14-17(27-23(30)16-5-6-16)7-12-20(21)36-24-15(2)22(25(31)32)28-29(24)18-8-10-19(35-3)11-9-18/h7-12,14,16,26H,4-6,13H2,1-3H3,(H,27,30)(H,31,32)
InChIKeyLIINGEQYVDPXEB-UHFFFAOYSA-N
MW528.59 g/mol
LogP3.72
Rot. Bonds11

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

5-[4-(cyclopropanecarbonylamino)-2-(propylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid (PubChem CID 83286215) has the molecular formula C25H28N4O7S and a molecular weight of 528.59 g/mol. Its IUPAC name is 5-[4-(cyclopropanecarbonylamino)-2-(propylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(cyclopropanecarbonylamino)-2-(propylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid
PubChem CID83286215
Molecular FormulaC25H28N4O7S
Molecular Weight528.59 g/mol
Exact Mass528.17
IUPAC Name5-[4-(cyclopropanecarbonylamino)-2-(propylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid
SMILESCCCNS(=O)(=O)c1cc(NC(=O)C2CC2)ccc1Oc1c(C)c(C(=O)O)nn1-c1ccc(OC)cc1
InChIInChI=1S/C25H28N4O7S/c1-4-13-26-37(33,34)21-14-17(27-23(30)16-5-6-16)7-12-20(21)36-24-15(2)22(25(31)32)28-29(24)18-8-10-19(35-3)11-9-18/h7-12,14,16,26H,4-6,13H2,1-3H3,(H,27,30)(H,31,32)
InChIKeyLIINGEQYVDPXEB-UHFFFAOYSA-N
XLogP3.72
TPSA148.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.59
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-(cyclopentanecarbonylamino)-2-(propylsulfamoyl)phenoxy]-4-methyl-1-phenylpyrazole-3-carboxylic acid
CID 83286218
5-[4-(cyclopropanecarbonylamino)-2-(cyclopropylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid
CID 83286174
5-[4-(cyclopropanecarbonylamino)-2-(2-methylpropylsulfamoyl)phenoxy]-4-methyl-1-(4-methylphenyl)pyrazole-3-carboxylic acid
CID 83272727
5-[2-(tert-butylsulfamoyl)-4-(cyclopropanecarbonylamino)phenoxy]-4-methyl-1-(4-methylphenyl)pyrazole-3-carboxylic acid
CID 83277467
1-(4-methoxyphenyl)-4-methyl-5-[4-[[(2R)-2-methylbutanoyl]amino]-2-(2-morpholin-4-ylethylsulfamoyl)phenoxy]pyrazole-3-carboxylic acid
CID 98441825
5-[4-(cyclopentanecarbonylamino)-2-(2-methoxyethylsulfamoyl)phenoxy]-1-(2,3-dimethylphenyl)-4-methylpyrazole-3-carboxylic acid
CID 83274519
5-[2-(furan-2-ylmethylsulfamoyl)-4-[(4-methoxybenzoyl)amino]phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid
CID 91635559
5-[2-(butan-2-ylsulfamoyl)-4-(cyclopropanecarbonylamino)phenoxy]-1-(3-fluorophenyl)-4-methylpyrazole-3-carboxylic acid
CID 83286141
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-[[(2S)-butan-2-yl]sulfamoyl]-4-(furan-2-carbonylamino)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid
CID 98439895
5-[2-[[(2S)-butan-2-yl]sulfamoyl]-4-(cyclopropanecarbonylamino)phenoxy]-1-tert-butyl-4-methylpyrazole-3-carboxylic acid
CID 98766654

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopropanecarbonylamino)-2-(propylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[4-(cyclopropanecarbonylamino)-2-(propylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid (CID 83286215) is 5-[4-(cyclopropanecarbonylamino)-2-(propylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[4-(cyclopropanecarbonylamino)-2-(propylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[4-(cyclopropanecarbonylamino)-2-(propylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid is CCCNS(=O)(=O)c1cc(NC(=O)C2CC2)ccc1Oc1c(C)c(C(=O)O)nn1-c1ccc(OC)cc1.
What is the InChIKey of 5-[4-(cyclopropanecarbonylamino)-2-(propylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid?
The InChIKey is LIINGEQYVDPXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O7S/c1-4-13-26-37(33,34)21-14-17(27-23(30)16-5-6-16)7-12-20(21)36-24-15(2)22(25(31)32)28-29(24)18-8-10-19(35-3)11-9-18/h7-12,14,16,26H,4-6,13H2,1-3H3,(H,27,30)(H,31,32).
What are the key properties of 5-[4-(cyclopropanecarbonylamino)-2-(propylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid?
5-[4-(cyclopropanecarbonylamino)-2-(propylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid has a molecular weight of 528.59 g/mol, XLogP of 3.72, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopropanecarbonylamino)-2-(propylsulfamoyl)phenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 83286215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).