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

C11H17N3O5S — CID 80717183

IUPAC2-[3,5-dimethyl-4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c(C)c1S(=O)(=O)NC1CCOC1
InChIInChI=1S/C11H17N3O5S/c1-7-11(8(2)14(12-7)5-10(15)16)20(17,18)13-9-3-4-19-6-9/h9,13H,3-6H2,1-2H3,(H,15,16)
InChIKeyXNUWNWWHKDRHFS-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.35
Rot. Bonds5

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

2-[3,5-dimethyl-4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid (PubChem CID 80717183) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid
PubChem CID80717183
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Name2-[3,5-dimethyl-4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c(C)c1S(=O)(=O)NC1CCOC1
InChIInChI=1S/C11H17N3O5S/c1-7-11(8(2)14(12-7)5-10(15)16)20(17,18)13-9-3-4-19-6-9/h9,13H,3-6H2,1-2H3,(H,15,16)
InChIKeyXNUWNWWHKDRHFS-UHFFFAOYSA-N
XLogP-0.35
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3,5-dimethyl-4-(propan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43513491
3-amino-1,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 105359128
2-[4-(ethoxysulfamoyl)-3,5-dimethylpyrazol-1-yl]acetic acid
CID 64974053
2-[4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid
CID 43714267
2-[3,5-dimethyl-4-(pyrrol-1-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 79089986
2-[3,5-dimethyl-4-(prop-2-enylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43513628
2-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid
CID 115454214
1-(2-hydroxyethyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide
CID 114551680
2-[4-(2,2-dimethylbutylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetic acid
CID 103460341
1-(3-hydroxypropyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide
CID 114551679
2-[3,5-dimethyl-4-(2-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43513488
5-methyl-4-(oxolan-3-ylsulfamoyl)furan-2-carboxylic acid
CID 80717647

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3,5-dimethyl-4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid (CID 80717183) is 2-[3,5-dimethyl-4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3,5-dimethyl-4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3,5-dimethyl-4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid is Cc1nn(CC(=O)O)c(C)c1S(=O)(=O)NC1CCOC1.
What is the InChIKey of 2-[3,5-dimethyl-4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is XNUWNWWHKDRHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-7-11(8(2)14(12-7)5-10(15)16)20(17,18)13-9-3-4-19-6-9/h9,13H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[3,5-dimethyl-4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid?
2-[3,5-dimethyl-4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 303.34 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-(oxolan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 80717183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).