2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid

C10H15N3O4S — CID 114265136

IUPAC2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESC=CCCN(C)S(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C10H15N3O4S/c1-3-4-5-12(2)18(16,17)9-6-11-13(7-9)8-10(14)15/h3,6-7H,1,4-5,8H2,2H3,(H,14,15)
InChIKeyHTLCSANVIYITSH-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.16
Rot. Bonds7

About 2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 114265136) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID114265136
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESC=CCCN(C)S(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C10H15N3O4S/c1-3-4-5-12(2)18(16,17)9-6-11-13(7-9)8-10(14)15/h3,6-7H,1,4-5,8H2,2H3,(H,14,15)
InChIKeyHTLCSANVIYITSH-UHFFFAOYSA-N
XLogP0.16
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 104551510
2-[4-[methyl(oxan-4-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 63712750
2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43613863
3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 114230136
2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 61039541
2-[4-[2-methoxyethyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 82948368
4-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361582
2-[4-[2-ethoxyethyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 63698100
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 114265136) is 2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid is C=CCCN(C)S(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is HTLCSANVIYITSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-3-4-5-12(2)18(16,17)9-6-11-13(7-9)8-10(14)15/h3,6-7H,1,4-5,8H2,2H3,(H,14,15).
What are the key properties of 2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 273.31 g/mol, XLogP of 0.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 114265136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).