3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid

C10H17N3O5S — CID 64927716

IUPAC3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(O)CCNS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C10H17N3O5S/c1-8(14)2-4-12-19(17,18)9-6-11-13(7-9)5-3-10(15)16/h6-8,12,14H,2-5H2,1H3,(H,15,16)
InChIKeyPEUCJPONBMOBSK-UHFFFAOYSA-N
MW291.33 g/mol
LogP-0.59
Rot. Bonds8

About 3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid

3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 64927716) has the molecular formula C10H17N3O5S and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
PubChem CID64927716
Molecular FormulaC10H17N3O5S
Molecular Weight291.33 g/mol
Exact Mass291.09
IUPAC Name3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(O)CCNS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C10H17N3O5S/c1-8(14)2-4-12-19(17,18)9-6-11-13(7-9)5-3-10(15)16/h6-8,12,14H,2-5H2,1H3,(H,15,16)
InChIKeyPEUCJPONBMOBSK-UHFFFAOYSA-N
XLogP-0.59
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
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3-[4-(2-methylbutylsulfamoyl)pyrazol-1-yl]propanoic acid
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3-[4-(2-cyanoethylsulfamoyl)pyrazol-1-yl]propanoic acid
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3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 61463326
3-[4-(hexan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
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3-[4-(prop-2-enylsulfamoyl)pyrazol-1-yl]propanoic acid
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CID 82706470

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid (CID 64927716) is 3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid is CC(O)CCNS(=O)(=O)c1cnn(CCC(=O)O)c1.
What is the InChIKey of 3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is PEUCJPONBMOBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5S/c1-8(14)2-4-12-19(17,18)9-6-11-13(7-9)5-3-10(15)16/h6-8,12,14H,2-5H2,1H3,(H,15,16).
What are the key properties of 3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid?
3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 291.33 g/mol, XLogP of -0.59, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 64927716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).