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

C12H21N3O4S — CID 61463326

IUPAC3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESCCC(C)C(C)NS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C12H21N3O4S/c1-4-9(2)10(3)14-20(18,19)11-7-13-15(8-11)6-5-12(16)17/h7-10,14H,4-6H2,1-3H3,(H,16,17)
InChIKeyPMCDMXJTIJMTOU-UHFFFAOYSA-N
MW303.38 g/mol
LogP1.07
Rot. Bonds8

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

3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 61463326) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
PubChem CID61463326
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESCCC(C)C(C)NS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C12H21N3O4S/c1-4-9(2)10(3)14-20(18,19)11-7-13-15(8-11)6-5-12(16)17/h7-10,14H,4-6H2,1-3H3,(H,16,17)
InChIKeyPMCDMXJTIJMTOU-UHFFFAOYSA-N
XLogP1.07
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(hexan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 62200769
3-[4-(2-methylbutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 55108808
3-[4-(4-methoxybutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 64604624
3-[4-(ethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513520
3-[4-(1-cyclopropylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 63994050
1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106053678
3-[4-(2-methylpropoxysulfamoyl)pyrazol-1-yl]propanoic acid
CID 82706470
3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 107216092
2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 63843646
3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 64927716
3-[4-(prop-2-ynylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513629
3-[4-(hexylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513674

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid (CID 61463326) is 3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid is CCC(C)C(C)NS(=O)(=O)c1cnn(CCC(=O)O)c1.
What is the InChIKey of 3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is PMCDMXJTIJMTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-4-9(2)10(3)14-20(18,19)11-7-13-15(8-11)6-5-12(16)17/h7-10,14H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 303.38 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 61463326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).