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

C12H12FN3O4S — CID 43513578

IUPAC3-[4-[(4-fluorophenyl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C12H12FN3O4S/c13-9-1-3-10(4-2-9)15-21(19,20)11-7-14-16(8-11)6-5-12(17)18/h1-4,7-8,15H,5-6H2,(H,17,18)
InChIKeyAEVYWWYJEJOZQX-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.30
Rot. Bonds6

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

3-[4-[(4-fluorophenyl)sulfamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 43513578) has the molecular formula C12H12FN3O4S and a molecular weight of 313.31 g/mol. Its IUPAC name is 3-[4-[(4-fluorophenyl)sulfamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(4-fluorophenyl)sulfamoyl]pyrazol-1-yl]propanoic acid
PubChem CID43513578
Molecular FormulaC12H12FN3O4S
Molecular Weight313.31 g/mol
Exact Mass313.05
IUPAC Name3-[4-[(4-fluorophenyl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)Nc2ccc(F)cc2)cn1
InChIInChI=1S/C12H12FN3O4S/c13-9-1-3-10(4-2-9)15-21(19,20)11-7-14-16(8-11)6-5-12(17)18/h1-4,7-8,15H,5-6H2,(H,17,18)
InChIKeyAEVYWWYJEJOZQX-UHFFFAOYSA-N
XLogP1.30
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-fluorophenyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(4-fluorophenyl)sulfamoyl]pyrazol-1-yl]propanoic acid (CID 43513578) is 3-[4-[(4-fluorophenyl)sulfamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(4-fluorophenyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(4-fluorophenyl)sulfamoyl]pyrazol-1-yl]propanoic acid is O=C(O)CCn1cc(S(=O)(=O)Nc2ccc(F)cc2)cn1.
What is the InChIKey of 3-[4-[(4-fluorophenyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is AEVYWWYJEJOZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O4S/c13-9-1-3-10(4-2-9)15-21(19,20)11-7-14-16(8-11)6-5-12(17)18/h1-4,7-8,15H,5-6H2,(H,17,18).
What are the key properties of 3-[4-[(4-fluorophenyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[(4-fluorophenyl)sulfamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 313.31 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-fluorophenyl)sulfamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 43513578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).