5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid

C10H13N5O4S — CID 103004721

IUPAC5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCn1nccc1CCNS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C10H13N5O4S/c1-15-7(2-4-12-15)3-5-13-20(18,19)9-8(10(16)17)6-11-14-9/h2,4,6,13H,3,5H2,1H3,(H,11,14)(H,16,17)
InChIKeyVNVMBSNBHKKVQA-UHFFFAOYSA-N
MW299.31 g/mol
LogP-0.64
Rot. Bonds6

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

5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 103004721) has the molecular formula C10H13N5O4S and a molecular weight of 299.31 g/mol. Its IUPAC name is 5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID103004721
Molecular FormulaC10H13N5O4S
Molecular Weight299.31 g/mol
Exact Mass299.07
IUPAC Name5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCn1nccc1CCNS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C10H13N5O4S/c1-15-7(2-4-12-15)3-5-13-20(18,19)9-8(10(16)17)6-11-14-9/h2,4,6,13H,3,5H2,1H3,(H,11,14)(H,16,17)
InChIKeyVNVMBSNBHKKVQA-UHFFFAOYSA-N
XLogP-0.64
TPSA129.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1-methylpyrrol-2-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106415108
5-(2-pyridin-2-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60910649
N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693966
5-[2-(dimethylamino)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54933878
5-[2-(3-methylphenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 62314105
5-(2-thiophen-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 61473154
5-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60912033
5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-3-carboxylic acid
CID 103004685
5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934219
5-(3-aminopropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62274009
5-[2-(3-fluorophenyl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911925
5-bromo-4-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 103004774

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 103004721) is 5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid is Cn1nccc1CCNS(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is VNVMBSNBHKKVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4S/c1-15-7(2-4-12-15)3-5-13-20(18,19)9-8(10(16)17)6-11-14-9/h2,4,6,13H,3,5H2,1H3,(H,11,14)(H,16,17).
What are the key properties of 5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of -0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylpyrazol-3-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 103004721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).