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

C13H21N3O4S — CID 63994050

IUPAC3-[4-(1-cyclopropylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESCCC(CC1CC1)NS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C13H21N3O4S/c1-2-11(7-10-3-4-10)15-21(19,20)12-8-14-16(9-12)6-5-13(17)18/h8-11,15H,2-7H2,1H3,(H,17,18)
InChIKeyICXFBRZBCRHAEG-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.21
Rot. Bonds9

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

3-[4-(1-cyclopropylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 63994050) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-[4-(1-cyclopropylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(1-cyclopropylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
PubChem CID63994050
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name3-[4-(1-cyclopropylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESCCC(CC1CC1)NS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C13H21N3O4S/c1-2-11(7-10-3-4-10)15-21(19,20)12-8-14-16(9-12)6-5-13(17)18/h8-11,15H,2-7H2,1H3,(H,17,18)
InChIKeyICXFBRZBCRHAEG-UHFFFAOYSA-N
XLogP1.21
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-cyclopropylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(1-cyclopropylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid (CID 63994050) is 3-[4-(1-cyclopropylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(1-cyclopropylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(1-cyclopropylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid is CCC(CC1CC1)NS(=O)(=O)c1cnn(CCC(=O)O)c1.
What is the InChIKey of 3-[4-(1-cyclopropylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is ICXFBRZBCRHAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-2-11(7-10-3-4-10)15-21(19,20)12-8-14-16(9-12)6-5-13(17)18/h8-11,15H,2-7H2,1H3,(H,17,18).
What are the key properties of 3-[4-(1-cyclopropylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
3-[4-(1-cyclopropylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 315.40 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-cyclopropylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 63994050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).