5-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid

C11H15N5O4S — CID 60912161

IUPAC5-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCc1c(C(C)NS(=O)(=O)c2[nH]ncc2C(=O)O)cnn1C
InChIInChI=1S/C11H15N5O4S/c1-6(8-5-13-16(3)7(8)2)15-21(19,20)10-9(11(17)18)4-12-14-10/h4-6,15H,1-3H3,(H,12,14)(H,17,18)
InChIKeyPQTJFONMSJKWHS-UHFFFAOYSA-N
MW313.34 g/mol
LogP0.19
Rot. Bonds5

About 5-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 60912161) has the molecular formula C11H15N5O4S and a molecular weight of 313.34 g/mol. Its IUPAC name is 5-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID60912161
Molecular FormulaC11H15N5O4S
Molecular Weight313.34 g/mol
Exact Mass313.08
IUPAC Name5-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCc1c(C(C)NS(=O)(=O)c2[nH]ncc2C(=O)O)cnn1C
InChIInChI=1S/C11H15N5O4S/c1-6(8-5-13-16(3)7(8)2)15-21(19,20)10-9(11(17)18)4-12-14-10/h4-6,15H,1-3H3,(H,12,14)(H,17,18)
InChIKeyPQTJFONMSJKWHS-UHFFFAOYSA-N
XLogP0.19
TPSA129.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]propanoic acid
CID 54947856
5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106281469
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 22208904
5-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 81352466
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 47027427
5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62200773
5-(heptan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 54933933
5-(1-morpholin-4-ylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60912163
5-[1-(5-chloro-1-benzofuran-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 166398046
3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid
CID 155858515
ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60712845
5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106185878

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 60912161) is 5-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid is Cc1c(C(C)NS(=O)(=O)c2[nH]ncc2C(=O)O)cnn1C.
What is the InChIKey of 5-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is PQTJFONMSJKWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4S/c1-6(8-5-13-16(3)7(8)2)15-21(19,20)10-9(11(17)18)4-12-14-10/h4-6,15H,1-3H3,(H,12,14)(H,17,18).
What are the key properties of 5-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 313.34 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,5-dimethylpyrazol-4-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 60912161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).