3-[(2-ethoxy-2-oxoethyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid

C8H11N3O6S — CID 64528667

IUPAC3-[(2-ethoxy-2-oxoethyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
SMILESCCOC(=O)CS(=O)(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C8H11N3O6S/c1-2-17-7(12)4-18(15,16)11-6-3-5(8(13)14)9-10-6/h3H,2,4H2,1H3,(H,13,14)(H2,9,10,11)
InChIKeyFHFYWDLHGHEJDQ-UHFFFAOYSA-N
MW277.26 g/mol
LogP-0.59
Rot. Bonds6

About 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid

3-[(2-ethoxy-2-oxoethyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64528667) has the molecular formula C8H11N3O6S and a molecular weight of 277.26 g/mol. Its IUPAC name is 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2-ethoxy-2-oxoethyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
PubChem CID64528667
Molecular FormulaC8H11N3O6S
Molecular Weight277.26 g/mol
Exact Mass277.04
IUPAC Name3-[(2-ethoxy-2-oxoethyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
SMILESCCOC(=O)CS(=O)(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C8H11N3O6S/c1-2-17-7(12)4-18(15,16)11-6-3-5(8(13)14)9-10-6/h3H,2,4H2,1H3,(H,13,14)(H2,9,10,11)
InChIKeyFHFYWDLHGHEJDQ-UHFFFAOYSA-N
XLogP-0.59
TPSA138.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid (CID 64528667) is 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid is CCOC(=O)CS(=O)(=O)Nc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is FHFYWDLHGHEJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O6S/c1-2-17-7(12)4-18(15,16)11-6-3-5(8(13)14)9-10-6/h3H,2,4H2,1H3,(H,13,14)(H2,9,10,11).
What are the key properties of 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
3-[(2-ethoxy-2-oxoethyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 277.26 g/mol, XLogP of -0.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64528667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).