2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid

C9H15N3O5S — CID 107216136

IUPAC2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCC[C@H](CO)NS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C9H15N3O5S/c1-2-7(6-13)11-18(16,17)8-3-10-12(4-8)5-9(14)15/h3-4,7,11,13H,2,5-6H2,1H3,(H,14,15)/t7-/m1/s1
InChIKeyCMQHJPJHCMHMHL-SSDOTTSWSA-N
MW277.30 g/mol
LogP-0.98
Rot. Bonds7

About 2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 107216136) has the molecular formula C9H15N3O5S and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID107216136
Molecular FormulaC9H15N3O5S
Molecular Weight277.30 g/mol
Exact Mass277.07
IUPAC Name2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCC[C@H](CO)NS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C9H15N3O5S/c1-2-7(6-13)11-18(16,17)8-3-10-12(4-8)5-9(14)15/h3-4,7,11,13H,2,5-6H2,1H3,(H,14,15)/t7-/m1/s1
InChIKeyCMQHJPJHCMHMHL-SSDOTTSWSA-N
XLogP-0.98
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1-hydroxypentan-3-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 113495559
2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 63843646
2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 79254017
2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 43578551
2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60780508
2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 66169743
2-[4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 61143019
2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid
CID 62518576
2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
CID 64973990
2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511212
3-[4-(1-cyclopropylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 63994050
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid (CID 107216136) is 2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid is CC[C@H](CO)NS(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is CMQHJPJHCMHMHL-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15N3O5S/c1-2-7(6-13)11-18(16,17)8-3-10-12(4-8)5-9(14)15/h3-4,7,11,13H,2,5-6H2,1H3,(H,14,15)/t7-/m1/s1.
What are the key properties of 2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 277.30 g/mol, XLogP of -0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 107216136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).