2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid

C11H19N3O5S — CID 61039541

IUPAC2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCC(C)N(CCCO)S(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C11H19N3O5S/c1-9(2)14(4-3-5-15)20(18,19)10-6-12-13(7-10)8-11(16)17/h6-7,9,15H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyUVRQXHMOEZLEAD-UHFFFAOYSA-N
MW305.36 g/mol
LogP-0.25
Rot. Bonds8

About 2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 61039541) has the molecular formula C11H19N3O5S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID61039541
Molecular FormulaC11H19N3O5S
Molecular Weight305.36 g/mol
Exact Mass305.10
IUPAC Name2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCC(C)N(CCCO)S(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C11H19N3O5S/c1-9(2)14(4-3-5-15)20(18,19)10-6-12-13(7-10)8-11(16)17/h6-7,9,15H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyUVRQXHMOEZLEAD-UHFFFAOYSA-N
XLogP-0.25
TPSA112.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-methoxyethyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 82948368
2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 104551510
2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511008
3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 114230136
2-[4-[cyclopropyl(3-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60951551
2-[4-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60950282
2-[4-[2-ethoxyethyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 63698100
2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 114265136
2-[4-[methyl(2-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 63983446
2-[4-[2-cyanopropyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60950901
2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 79254017
2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43613863

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 61039541) is 2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid is CC(C)N(CCCO)S(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is UVRQXHMOEZLEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5S/c1-9(2)14(4-3-5-15)20(18,19)10-6-12-13(7-10)8-11(16)17/h6-7,9,15H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 305.36 g/mol, XLogP of -0.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61039541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).