3-[4-(4-methoxybutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid

C11H19N3O5S — CID 64604624

IUPAC3-[4-(4-methoxybutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESCOCCC(C)NS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C11H19N3O5S/c1-9(4-6-19-2)13-20(17,18)10-7-12-14(8-10)5-3-11(15)16/h7-9,13H,3-6H2,1-2H3,(H,15,16)
InChIKeyMELGXMJPYVKDIG-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.06
Rot. Bonds9

About 3-[4-(4-methoxybutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid

3-[4-(4-methoxybutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 64604624) has the molecular formula C11H19N3O5S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-[4-(4-methoxybutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-methoxybutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
PubChem CID64604624
Molecular FormulaC11H19N3O5S
Molecular Weight305.36 g/mol
Exact Mass305.10
IUPAC Name3-[4-(4-methoxybutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESCOCCC(C)NS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C11H19N3O5S/c1-9(4-6-19-2)13-20(17,18)10-7-12-14(8-10)5-3-11(15)16/h7-9,13H,3-6H2,1-2H3,(H,15,16)
InChIKeyMELGXMJPYVKDIG-UHFFFAOYSA-N
XLogP0.06
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(hexan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 62200769
3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 61463326
N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106067461
3-[4-(2-methylpropoxysulfamoyl)pyrazol-1-yl]propanoic acid
CID 82706470
3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 64927716
3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 107216092
3-[4-(ethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513520
3-[4-(2-methylbutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 55108808
3-[4-(1-cyclopropylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 63994050
3-[4-(prop-2-ynylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513629
N-(1-methoxypropan-2-yl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106057219
2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60780508

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxybutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(4-methoxybutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid (CID 64604624) is 3-[4-(4-methoxybutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(4-methoxybutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(4-methoxybutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid is COCCC(C)NS(=O)(=O)c1cnn(CCC(=O)O)c1.
What is the InChIKey of 3-[4-(4-methoxybutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is MELGXMJPYVKDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5S/c1-9(4-6-19-2)13-20(17,18)10-7-12-14(8-10)5-3-11(15)16/h7-9,13H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-[4-(4-methoxybutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
3-[4-(4-methoxybutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 305.36 g/mol, XLogP of 0.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxybutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 64604624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).