2-[3,5-dimethyl-4-(prop-2-enylsulfamoyl)pyrazol-1-yl]acetic acid

C10H15N3O4S — CID 43513628

IUPAC2-[3,5-dimethyl-4-(prop-2-enylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESC=CCNS(=O)(=O)c1c(C)nn(CC(=O)O)c1C
InChIInChI=1S/C10H15N3O4S/c1-4-5-11-18(16,17)10-7(2)12-13(8(10)3)6-9(14)15/h4,11H,1,5-6H2,2-3H3,(H,14,15)
InChIKeySTGRBXUAYFFDSO-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.05
Rot. Bonds6

About 2-[3,5-dimethyl-4-(prop-2-enylsulfamoyl)pyrazol-1-yl]acetic acid

2-[3,5-dimethyl-4-(prop-2-enylsulfamoyl)pyrazol-1-yl]acetic acid (PubChem CID 43513628) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-(prop-2-enylsulfamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-(prop-2-enylsulfamoyl)pyrazol-1-yl]acetic acid
PubChem CID43513628
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name2-[3,5-dimethyl-4-(prop-2-enylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESC=CCNS(=O)(=O)c1c(C)nn(CC(=O)O)c1C
InChIInChI=1S/C10H15N3O4S/c1-4-5-11-18(16,17)10-7(2)12-13(8(10)3)6-9(14)15/h4,11H,1,5-6H2,2-3H3,(H,14,15)
InChIKeySTGRBXUAYFFDSO-UHFFFAOYSA-N
XLogP0.05
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-(prop-2-enylsulfamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3,5-dimethyl-4-(prop-2-enylsulfamoyl)pyrazol-1-yl]acetic acid (CID 43513628) is 2-[3,5-dimethyl-4-(prop-2-enylsulfamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3,5-dimethyl-4-(prop-2-enylsulfamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3,5-dimethyl-4-(prop-2-enylsulfamoyl)pyrazol-1-yl]acetic acid is C=CCNS(=O)(=O)c1c(C)nn(CC(=O)O)c1C.
What is the InChIKey of 2-[3,5-dimethyl-4-(prop-2-enylsulfamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is STGRBXUAYFFDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-4-5-11-18(16,17)10-7(2)12-13(8(10)3)6-9(14)15/h4,11H,1,5-6H2,2-3H3,(H,14,15).
What are the key properties of 2-[3,5-dimethyl-4-(prop-2-enylsulfamoyl)pyrazol-1-yl]acetic acid?
2-[3,5-dimethyl-4-(prop-2-enylsulfamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 273.31 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-(prop-2-enylsulfamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43513628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).