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

C10H12F3N3O4S — CID 106209137

IUPAC3-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)NC2(C(F)(F)F)CC2)cn1
InChIInChI=1S/C10H12F3N3O4S/c11-10(12,13)9(2-3-9)15-21(19,20)7-5-14-16(6-7)4-1-8(17)18/h5-6,15H,1-4H2,(H,17,18)
InChIKeyYWGTTZGRVSRQPQ-UHFFFAOYSA-N
MW327.28 g/mol
LogP0.73
Rot. Bonds6

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

3-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 106209137) has the molecular formula C10H12F3N3O4S and a molecular weight of 327.28 g/mol. Its IUPAC name is 3-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
PubChem CID106209137
Molecular FormulaC10H12F3N3O4S
Molecular Weight327.28 g/mol
Exact Mass327.05
IUPAC Name3-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)NC2(C(F)(F)F)CC2)cn1
InChIInChI=1S/C10H12F3N3O4S/c11-10(12,13)9(2-3-9)15-21(19,20)7-5-14-16(6-7)4-1-8(17)18/h5-6,15H,1-4H2,(H,17,18)
InChIKeyYWGTTZGRVSRQPQ-UHFFFAOYSA-N
XLogP0.73
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrazol-1-yl]propanoic acid (CID 106209137) is 3-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrazol-1-yl]propanoic acid is O=C(O)CCn1cc(S(=O)(=O)NC2(C(F)(F)F)CC2)cn1.
What is the InChIKey of 3-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is YWGTTZGRVSRQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O4S/c11-10(12,13)9(2-3-9)15-21(19,20)7-5-14-16(6-7)4-1-8(17)18/h5-6,15H,1-4H2,(H,17,18).
What are the key properties of 3-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 327.28 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 106209137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).