3-(methanesulfonamido)-1H-pyrazole-5-carboxylic acid

C5H7N3O4S — CID 64527301

IUPAC3-(methanesulfonamido)-1H-pyrazole-5-carboxylic acid
SMILESCS(=O)(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C5H7N3O4S/c1-13(11,12)8-4-2-3(5(9)10)6-7-4/h2H,1H3,(H,9,10)(H2,6,7,8)
InChIKeyXLAQFHUQEKXLRH-UHFFFAOYSA-N
MW205.19 g/mol
LogP-0.52
Rot. Bonds3

About 3-(methanesulfonamido)-1H-pyrazole-5-carboxylic acid

3-(methanesulfonamido)-1H-pyrazole-5-carboxylic acid (PubChem CID 64527301) has the molecular formula C5H7N3O4S and a molecular weight of 205.19 g/mol. Its IUPAC name is 3-(methanesulfonamido)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(methanesulfonamido)-1H-pyrazole-5-carboxylic acid
PubChem CID64527301
Molecular FormulaC5H7N3O4S
Molecular Weight205.19 g/mol
Exact Mass205.02
IUPAC Name3-(methanesulfonamido)-1H-pyrazole-5-carboxylic acid
SMILESCS(=O)(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C5H7N3O4S/c1-13(11,12)8-4-2-3(5(9)10)6-7-4/h2H,1H3,(H,9,10)(H2,6,7,8)
InChIKeyXLAQFHUQEKXLRH-UHFFFAOYSA-N
XLogP-0.52
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(methanesulfonamido)-1H-pyrazole-5-carboxylic acid (CID 64527301) is 3-(methanesulfonamido)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(methanesulfonamido)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(methanesulfonamido)-1H-pyrazole-5-carboxylic acid is CS(=O)(=O)Nc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(methanesulfonamido)-1H-pyrazole-5-carboxylic acid?
The InChIKey is XLAQFHUQEKXLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O4S/c1-13(11,12)8-4-2-3(5(9)10)6-7-4/h2H,1H3,(H,9,10)(H2,6,7,8).
What are the key properties of 3-(methanesulfonamido)-1H-pyrazole-5-carboxylic acid?
3-(methanesulfonamido)-1H-pyrazole-5-carboxylic acid has a molecular weight of 205.19 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64527301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).