1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid

C10H5ClN4O3S — CID 65475890

IUPAC1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2c(Cl)ccc3nsnc23)cc1O
InChIInChI=1S/C10H5ClN4O3S/c11-4-1-2-5-7(14-19-13-5)9(4)15-3-6(16)8(12-15)10(17)18/h1-3,16H,(H,17,18)
InChIKeyYQONVGBFCVADKR-UHFFFAOYSA-N
MW296.70 g/mol
LogP1.93
Rot. Bonds2

About 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid

1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid (PubChem CID 65475890) has the molecular formula C10H5ClN4O3S and a molecular weight of 296.70 g/mol. Its IUPAC name is 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid
PubChem CID65475890
Molecular FormulaC10H5ClN4O3S
Molecular Weight296.70 g/mol
Exact Mass295.98
IUPAC Name1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2c(Cl)ccc3nsnc23)cc1O
InChIInChI=1S/C10H5ClN4O3S/c11-4-1-2-5-7(14-19-13-5)9(4)15-3-6(16)8(12-15)10(17)18/h1-3,16H,(H,17,18)
InChIKeyYQONVGBFCVADKR-UHFFFAOYSA-N
XLogP1.93
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.70
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid?
The IUPAC name of 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid (CID 65475890) is 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid is O=C(O)c1nn(-c2c(Cl)ccc3nsnc23)cc1O.
What is the InChIKey of 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid?
The InChIKey is YQONVGBFCVADKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN4O3S/c11-4-1-2-5-7(14-19-13-5)9(4)15-3-6(16)8(12-15)10(17)18/h1-3,16H,(H,17,18).
What are the key properties of 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid?
1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid has a molecular weight of 296.70 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid is sourced from PubChem (CID 65475890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).