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

C11H7ClN4O2S — CID 105421523

IUPAC1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1-c1c(Cl)ccc2nsnc12
InChIInChI=1S/C11H7ClN4O2S/c1-5-4-8(11(17)18)13-16(5)10-6(12)2-3-7-9(10)15-19-14-7/h2-4H,1H3,(H,17,18)
InChIKeyNEJDHMVWDFHRBS-UHFFFAOYSA-N
MW294.72 g/mol
LogP2.54
Rot. Bonds2

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

1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methylpyrazole-3-carboxylic acid (PubChem CID 105421523) has the molecular formula C11H7ClN4O2S and a molecular weight of 294.72 g/mol. Its IUPAC name is 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methylpyrazole-3-carboxylic acid
PubChem CID105421523
Molecular FormulaC11H7ClN4O2S
Molecular Weight294.72 g/mol
Exact Mass294.00
IUPAC Name1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1-c1c(Cl)ccc2nsnc12
InChIInChI=1S/C11H7ClN4O2S/c1-5-4-8(11(17)18)13-16(5)10-6(12)2-3-7-9(10)15-19-14-7/h2-4H,1H3,(H,17,18)
InChIKeyNEJDHMVWDFHRBS-UHFFFAOYSA-N
XLogP2.54
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methylpyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-dimethylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82081789
4-chloro-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrole-2-carboxylic acid
CID 114605799
5-chloro-2,1,3-benzothiadiazole-4-carboxylic acid
CID 130495635
1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrazole-3-carboxylic acid
CID 65475890
1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-propyltriazole-4-carboxylic acid
CID 65475488
1-(4-bromo-3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 107613689
5-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1-methylpyrrole-2-carboxylic acid
CID 65473777
1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421466
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2994664
5-methyl-1-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxylic acid
CID 107645273
5-(5-chloro-2,1,3-benzothiadiazol-4-yl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 65473582

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methylpyrazole-3-carboxylic acid (CID 105421523) is 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)nn1-c1c(Cl)ccc2nsnc12.
What is the InChIKey of 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methylpyrazole-3-carboxylic acid?
The InChIKey is NEJDHMVWDFHRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O2S/c1-5-4-8(11(17)18)13-16(5)10-6(12)2-3-7-9(10)15-19-14-7/h2-4H,1H3,(H,17,18).
What are the key properties of 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methylpyrazole-3-carboxylic acid?
1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methylpyrazole-3-carboxylic acid has a molecular weight of 294.72 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 105421523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).