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

C9H12F3N3O4S — CID 63225909

IUPAC3-[4-(3,3,3-trifluoropropylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)NCCC(F)(F)F)cn1
InChIInChI=1S/C9H12F3N3O4S/c10-9(11,12)2-3-14-20(18,19)7-5-13-15(6-7)4-1-8(16)17/h5-6,14H,1-4H2,(H,16,17)
InChIKeyHDVLENKTDULHPV-UHFFFAOYSA-N
MW315.27 g/mol
LogP0.59
Rot. Bonds7

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

3-[4-(3,3,3-trifluoropropylsulfamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 63225909) has the molecular formula C9H12F3N3O4S and a molecular weight of 315.27 g/mol. Its IUPAC name is 3-[4-(3,3,3-trifluoropropylsulfamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3,3,3-trifluoropropylsulfamoyl)pyrazol-1-yl]propanoic acid
PubChem CID63225909
Molecular FormulaC9H12F3N3O4S
Molecular Weight315.27 g/mol
Exact Mass315.05
IUPAC Name3-[4-(3,3,3-trifluoropropylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)NCCC(F)(F)F)cn1
InChIInChI=1S/C9H12F3N3O4S/c10-9(11,12)2-3-14-20(18,19)7-5-13-15(6-7)4-1-8(16)17/h5-6,14H,1-4H2,(H,16,17)
InChIKeyHDVLENKTDULHPV-UHFFFAOYSA-N
XLogP0.59
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-(3,3,3-trifluoropropylsulfamoyl)pyrazol-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,3,3-trifluoropropylsulfamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(3,3,3-trifluoropropylsulfamoyl)pyrazol-1-yl]propanoic acid (CID 63225909) is 3-[4-(3,3,3-trifluoropropylsulfamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(3,3,3-trifluoropropylsulfamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(3,3,3-trifluoropropylsulfamoyl)pyrazol-1-yl]propanoic acid is O=C(O)CCn1cc(S(=O)(=O)NCCC(F)(F)F)cn1.
What is the InChIKey of 3-[4-(3,3,3-trifluoropropylsulfamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is HDVLENKTDULHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O4S/c10-9(11,12)2-3-14-20(18,19)7-5-13-15(6-7)4-1-8(16)17/h5-6,14H,1-4H2,(H,16,17).
What are the key properties of 3-[4-(3,3,3-trifluoropropylsulfamoyl)pyrazol-1-yl]propanoic acid?
3-[4-(3,3,3-trifluoropropylsulfamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 315.27 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,3,3-trifluoropropylsulfamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 63225909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).