5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid

C10H15N3O6S — CID 107389033

IUPAC5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCC1(C)OCC(CNS(=O)(=O)c2[nH]ncc2C(=O)O)O1
InChIInChI=1S/C10H15N3O6S/c1-10(2)18-5-6(19-10)3-12-20(16,17)8-7(9(14)15)4-11-13-8/h4,6,12H,3,5H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyHREMXHFRPHLNGW-UHFFFAOYSA-N
MW305.31 g/mol
LogP-0.46
Rot. Bonds5

About 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 107389033) has the molecular formula C10H15N3O6S and a molecular weight of 305.31 g/mol. Its IUPAC name is 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID107389033
Molecular FormulaC10H15N3O6S
Molecular Weight305.31 g/mol
Exact Mass305.07
IUPAC Name5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCC1(C)OCC(CNS(=O)(=O)c2[nH]ncc2C(=O)O)O1
InChIInChI=1S/C10H15N3O6S/c1-10(2)18-5-6(19-10)3-12-20(16,17)8-7(9(14)15)4-11-13-8/h4,6,12H,3,5H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyHREMXHFRPHLNGW-UHFFFAOYSA-N
XLogP-0.46
TPSA130.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 107389033) is 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid is CC1(C)OCC(CNS(=O)(=O)c2[nH]ncc2C(=O)O)O1.
What is the InChIKey of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is HREMXHFRPHLNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O6S/c1-10(2)18-5-6(19-10)3-12-20(16,17)8-7(9(14)15)4-11-13-8/h4,6,12H,3,5H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 305.31 g/mol, XLogP of -0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 107389033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).