3-[4-[cyclopentyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid

C13H21N3O4S — CID 43541006

IUPAC3-[4-[cyclopentyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESCCN(C1CCCC1)S(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C13H21N3O4S/c1-2-16(11-5-3-4-6-11)21(19,20)12-9-14-15(10-12)8-7-13(17)18/h9-11H,2-8H2,1H3,(H,17,18)
InChIKeyJHVOOCILYHTOGS-UHFFFAOYSA-N
MW315.40 g/mol
LogP1.31
Rot. Bonds7

About 3-[4-[cyclopentyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid

3-[4-[cyclopentyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 43541006) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-[4-[cyclopentyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[cyclopentyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
PubChem CID43541006
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name3-[4-[cyclopentyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESCCN(C1CCCC1)S(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C13H21N3O4S/c1-2-16(11-5-3-4-6-11)21(19,20)12-9-14-15(10-12)8-7-13(17)18/h9-11H,2-8H2,1H3,(H,17,18)
InChIKeyJHVOOCILYHTOGS-UHFFFAOYSA-N
XLogP1.31
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[cyclopentyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[cyclopentyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid (CID 43541006) is 3-[4-[cyclopentyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[cyclopentyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[cyclopentyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid is CCN(C1CCCC1)S(=O)(=O)c1cnn(CCC(=O)O)c1.
What is the InChIKey of 3-[4-[cyclopentyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is JHVOOCILYHTOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-2-16(11-5-3-4-6-11)21(19,20)12-9-14-15(10-12)8-7-13(17)18/h9-11H,2-8H2,1H3,(H,17,18).
What are the key properties of 3-[4-[cyclopentyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[cyclopentyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 315.40 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[cyclopentyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 43541006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).