5-[2-(ethylsulfamoyl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid

C10H18N4O4S — CID 106342817

IUPAC5-[2-(ethylsulfamoyl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCCNS(=O)(=O)CCNc1c(C(=O)O)c(C)nn1C
InChIInChI=1S/C10H18N4O4S/c1-4-12-19(17,18)6-5-11-9-8(10(15)16)7(2)13-14(9)3/h11-12H,4-6H2,1-3H3,(H,15,16)
InChIKeyIIVLULZKTLUIQL-UHFFFAOYSA-N
MW290.35 g/mol
LogP-0.22
Rot. Bonds7

About 5-[2-(ethylsulfamoyl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid

5-[2-(ethylsulfamoyl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid (PubChem CID 106342817) has the molecular formula C10H18N4O4S and a molecular weight of 290.35 g/mol. Its IUPAC name is 5-[2-(ethylsulfamoyl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-(ethylsulfamoyl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid
PubChem CID106342817
Molecular FormulaC10H18N4O4S
Molecular Weight290.35 g/mol
Exact Mass290.10
IUPAC Name5-[2-(ethylsulfamoyl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCCNS(=O)(=O)CCNc1c(C(=O)O)c(C)nn1C
InChIInChI=1S/C10H18N4O4S/c1-4-12-19(17,18)6-5-11-9-8(10(15)16)7(2)13-14(9)3/h11-12H,4-6H2,1-3H3,(H,15,16)
InChIKeyIIVLULZKTLUIQL-UHFFFAOYSA-N
XLogP-0.22
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylsulfamoyl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[2-(ethylsulfamoyl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid (CID 106342817) is 5-[2-(ethylsulfamoyl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-(ethylsulfamoyl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[2-(ethylsulfamoyl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid is CCNS(=O)(=O)CCNc1c(C(=O)O)c(C)nn1C.
What is the InChIKey of 5-[2-(ethylsulfamoyl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid?
The InChIKey is IIVLULZKTLUIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-4-12-19(17,18)6-5-11-9-8(10(15)16)7(2)13-14(9)3/h11-12H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 5-[2-(ethylsulfamoyl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid?
5-[2-(ethylsulfamoyl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid has a molecular weight of 290.35 g/mol, XLogP of -0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylsulfamoyl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 106342817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).