1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid

C9H11N5O4S — CID 113443879

IUPAC1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid
SMILESCn1nccc1S(=O)(=O)Nc1c(C(=O)O)cnn1C
InChIInChI=1S/C9H11N5O4S/c1-13-7(3-4-10-13)19(17,18)12-8-6(9(15)16)5-11-14(8)2/h3-5,12H,1-2H3,(H,15,16)
InChIKeyIMWZOYVSPFVRDT-UHFFFAOYSA-N
MW285.29 g/mol
LogP-0.35
Rot. Bonds4

About 1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid

1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid (PubChem CID 113443879) has the molecular formula C9H11N5O4S and a molecular weight of 285.29 g/mol. Its IUPAC name is 1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid
PubChem CID113443879
Molecular FormulaC9H11N5O4S
Molecular Weight285.29 g/mol
Exact Mass285.05
IUPAC Name1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid
SMILESCn1nccc1S(=O)(=O)Nc1c(C(=O)O)cnn1C
InChIInChI=1S/C9H11N5O4S/c1-13-7(3-4-10-13)19(17,18)12-8-6(9(15)16)5-11-14(8)2/h3-5,12H,1-2H3,(H,15,16)
InChIKeyIMWZOYVSPFVRDT-UHFFFAOYSA-N
XLogP-0.35
TPSA119.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-methoxyphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
CID 21251119
5-[(4-ethylphenyl)sulfonylamino]-1-methylpyrazole-4-carboxylic acid
CID 43361454
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
1-methyl-5-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-carboxylic acid
CID 28784434
2-chloro-6-[(2-methylpyrazol-3-yl)sulfonylamino]benzoic acid
CID 115641165
5-methyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]-1H-pyrrole-2-carboxylic acid
CID 113483146
2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid
CID 104709642
1-methyl-5-(2-methylpyrazol-3-yl)pyrazole-4-carboxylic acid
CID 130678199
2-[(2-methylpyrazol-3-yl)sulfonylamino]acetamide
CID 104709783
3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
CID 104709527

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid (CID 113443879) is 1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid is Cn1nccc1S(=O)(=O)Nc1c(C(=O)O)cnn1C.
What is the InChIKey of 1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid?
The InChIKey is IMWZOYVSPFVRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O4S/c1-13-7(3-4-10-13)19(17,18)12-8-6(9(15)16)5-11-14(8)2/h3-5,12H,1-2H3,(H,15,16).
What are the key properties of 1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid?
1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid has a molecular weight of 285.29 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid is sourced from PubChem (CID 113443879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).