2-[4-[bis(2-hydroxyethyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid

C11H19N3O6S — CID 60951084

IUPAC2-[4-[bis(2-hydroxyethyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c(C)c1S(=O)(=O)N(CCO)CCO
InChIInChI=1S/C11H19N3O6S/c1-8-11(9(2)14(12-8)7-10(17)18)21(19,20)13(3-5-15)4-6-16/h15-16H,3-7H2,1-2H3,(H,17,18)
InChIKeyHRWXIKMCMXBRJZ-UHFFFAOYSA-N
MW321.36 g/mol
LogP-1.44
Rot. Bonds8

About 2-[4-[bis(2-hydroxyethyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid

2-[4-[bis(2-hydroxyethyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid (PubChem CID 60951084) has the molecular formula C11H19N3O6S and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-[4-[bis(2-hydroxyethyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[bis(2-hydroxyethyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid
PubChem CID60951084
Molecular FormulaC11H19N3O6S
Molecular Weight321.36 g/mol
Exact Mass321.10
IUPAC Name2-[4-[bis(2-hydroxyethyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c(C)c1S(=O)(=O)N(CCO)CCO
InChIInChI=1S/C11H19N3O6S/c1-8-11(9(2)14(12-8)7-10(17)18)21(19,20)13(3-5-15)4-6-16/h15-16H,3-7H2,1-2H3,(H,17,18)
InChIKeyHRWXIKMCMXBRJZ-UHFFFAOYSA-N
XLogP-1.44
TPSA132.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid
CID 43578716
2-[4-[1-methoxypropan-2-yl(methyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid
CID 60952175
2-[3,5-dimethyl-4-(propan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43513491
2-[3,5-dimethyl-4-(prop-2-enylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43513628
2-[3,5-dimethyl-4-[methyl(thiolan-3-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43513719
2-[4-(ethoxysulfamoyl)-3,5-dimethylpyrazol-1-yl]acetic acid
CID 64974053
2-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid
CID 115454214
2-[3,5-dimethyl-4-(pyrrol-1-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 79089986
3-[3,5-dimethyl-4-[methyl(propyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513702
2-[4-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid
CID 43714267
2-[4-(2,2-dimethylbutylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetic acid
CID 103460341
N-ethyl-1-(2-hydroxyethyl)-3,5-dimethyl-N-(2-methylbutyl)pyrazole-4-sulfonamide
CID 79471794

Frequently Asked Questions

What is the IUPAC name of 2-[4-[bis(2-hydroxyethyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[bis(2-hydroxyethyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid (CID 60951084) is 2-[4-[bis(2-hydroxyethyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[bis(2-hydroxyethyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[bis(2-hydroxyethyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid is Cc1nn(CC(=O)O)c(C)c1S(=O)(=O)N(CCO)CCO.
What is the InChIKey of 2-[4-[bis(2-hydroxyethyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid?
The InChIKey is HRWXIKMCMXBRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O6S/c1-8-11(9(2)14(12-8)7-10(17)18)21(19,20)13(3-5-15)4-6-16/h15-16H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-[bis(2-hydroxyethyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid?
2-[4-[bis(2-hydroxyethyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid has a molecular weight of 321.36 g/mol, XLogP of -1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[bis(2-hydroxyethyl)sulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 60951084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).