2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid

C9H15N3O5S — CID 104551510

IUPAC2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCC(CO)N(C)S(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C9H15N3O5S/c1-7(6-13)11(2)18(16,17)8-3-10-12(4-8)5-9(14)15/h3-4,7,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyQFJLQWVIPPGLJG-UHFFFAOYSA-N
MW277.30 g/mol
LogP-1.03
Rot. Bonds6

About 2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 104551510) has the molecular formula C9H15N3O5S and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID104551510
Molecular FormulaC9H15N3O5S
Molecular Weight277.30 g/mol
Exact Mass277.07
IUPAC Name2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCC(CO)N(C)S(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C9H15N3O5S/c1-7(6-13)11(2)18(16,17)8-3-10-12(4-8)5-9(14)15/h3-4,7,13H,5-6H2,1-2H3,(H,14,15)
InChIKeyQFJLQWVIPPGLJG-UHFFFAOYSA-N
XLogP-1.03
TPSA112.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 61039541
2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511008
2-[4-[methyl(2-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 63983446
2-[4-[2-methoxyethyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 82948368
2-[4-[2-cyanopropyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60950901
2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43613863
2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 79254017
2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 107216136
2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 114265136
2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 63843646
2-[4-[cyclopropyl(3-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60951551
2-[4-[2-ethoxyethyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 63698100

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 104551510) is 2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid is CC(CO)N(C)S(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is QFJLQWVIPPGLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O5S/c1-7(6-13)11(2)18(16,17)8-3-10-12(4-8)5-9(14)15/h3-4,7,13H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 277.30 g/mol, XLogP of -1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 104551510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).