5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid

C12H13N3O5S — CID 21251119

IUPAC5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)Nc2c(C(=O)O)cnn2C)cc1
InChIInChI=1S/C12H13N3O5S/c1-15-11(10(7-13-15)12(16)17)14-21(18,19)9-5-3-8(20-2)4-6-9/h3-7,14H,1-2H3,(H,16,17)
InChIKeyWKHKJADJRBKMQP-UHFFFAOYSA-N
MW311.32 g/mol
LogP0.93
Rot. Bonds5

About 5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid

5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid (PubChem CID 21251119) has the molecular formula C12H13N3O5S and a molecular weight of 311.32 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
PubChem CID21251119
Molecular FormulaC12H13N3O5S
Molecular Weight311.32 g/mol
Exact Mass311.06
IUPAC Name5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)Nc2c(C(=O)O)cnn2C)cc1
InChIInChI=1S/C12H13N3O5S/c1-15-11(10(7-13-15)12(16)17)14-21(18,19)9-5-3-8(20-2)4-6-9/h3-7,14H,1-2H3,(H,16,17)
InChIKeyWKHKJADJRBKMQP-UHFFFAOYSA-N
XLogP0.93
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
CID 43361454
1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid
CID 113443879
2-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenolate
CID 54710152
ethyl 5-[(4-methoxyphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxylate
CID 5065328
5-[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
CID 106465673
5-(ethylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid
CID 114805356
5-(tert-butylsulfamoylamino)-1-methylpyrazole-4-carboxylic acid
CID 114805357
4-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877469
2-(dimethylamino)-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid
CID 46292269
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
2-[(4-methoxyphenyl)sulfonylamino]-5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)benzoic acid
CID 46325258
1-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 18549754

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid (CID 21251119) is 5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid is COc1ccc(S(=O)(=O)Nc2c(C(=O)O)cnn2C)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is WKHKJADJRBKMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5S/c1-15-11(10(7-13-15)12(16)17)14-21(18,19)9-5-3-8(20-2)4-6-9/h3-7,14H,1-2H3,(H,16,17).
What are the key properties of 5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid?
5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 311.32 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 21251119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).