2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid

C11H19N3O4S — CID 43511008

IUPAC2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCCCN(CCC)S(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C11H19N3O4S/c1-3-5-14(6-4-2)19(17,18)10-7-12-13(8-10)9-11(15)16/h7-8H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyIKJLHCYGTBFGCZ-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.78
Rot. Bonds8

About 2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid

2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid (PubChem CID 43511008) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid
PubChem CID43511008
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCCCN(CCC)S(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C11H19N3O4S/c1-3-5-14(6-4-2)19(17,18)10-7-12-13(8-10)9-11(15)16/h7-8H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyIKJLHCYGTBFGCZ-UHFFFAOYSA-N
XLogP0.78
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-ethoxyethyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 63698100
3-[4-[butyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513598
2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 104551510
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-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 61039541
2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 114265136
2-[4-[2-methoxyethyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 82948368
2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43613863
3-[4-[2-cyanoethyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 60950772
2-[4-(dipropylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19621949
2-[4-[cyclopropyl(3-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60951551

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid (CID 43511008) is 2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid is CCCN(CCC)S(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is IKJLHCYGTBFGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-3-5-14(6-4-2)19(17,18)10-7-12-13(8-10)9-11(15)16/h7-8H,3-6,9H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid?
2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 289.36 g/mol, XLogP of 0.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43511008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).