3-[4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]propanoic acid

C10H15F2N3O5S — CID 107479011

IUPAC3-[4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)N(CCO)CC(F)F)cn1
InChIInChI=1S/C10H15F2N3O5S/c11-9(12)7-15(3-4-16)21(19,20)8-5-13-14(6-8)2-1-10(17)18/h5-6,9,16H,1-4,7H2,(H,17,18)
InChIKeyZPOFPMFQRJLIHF-UHFFFAOYSA-N
MW327.31 g/mol
LogP-0.39
Rot. Bonds9

About 3-[4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]propanoic acid

3-[4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 107479011) has the molecular formula C10H15F2N3O5S and a molecular weight of 327.31 g/mol. Its IUPAC name is 3-[4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
PubChem CID107479011
Molecular FormulaC10H15F2N3O5S
Molecular Weight327.31 g/mol
Exact Mass327.07
IUPAC Name3-[4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)N(CCO)CC(F)F)cn1
InChIInChI=1S/C10H15F2N3O5S/c11-9(12)7-15(3-4-16)21(19,20)8-5-13-14(6-8)2-1-10(17)18/h5-6,9,16H,1-4,7H2,(H,17,18)
InChIKeyZPOFPMFQRJLIHF-UHFFFAOYSA-N
XLogP-0.39
TPSA112.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]propanoic acid (CID 107479011) is 3-[4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]propanoic acid is O=C(O)CCn1cc(S(=O)(=O)N(CCO)CC(F)F)cn1.
What is the InChIKey of 3-[4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is ZPOFPMFQRJLIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O5S/c11-9(12)7-15(3-4-16)21(19,20)8-5-13-14(6-8)2-1-10(17)18/h5-6,9,16H,1-4,7H2,(H,17,18).
What are the key properties of 3-[4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 327.31 g/mol, XLogP of -0.39, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 107479011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).