2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid

C10H11F3N2O2 — CID 19616916

IUPAC2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C10H11F3N2O2/c1-5(9(16)17)15-7-4-2-3-6(7)8(14-15)10(11,12)13/h5H,2-4H2,1H3,(H,16,17)
InChIKeyWMFULLMJQHHBFB-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.04
Rot. Bonds2

About 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid

2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid (PubChem CID 19616916) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid
PubChem CID19616916
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C10H11F3N2O2/c1-5(9(16)17)15-7-4-2-3-6(7)8(14-15)10(11,12)13/h5H,2-4H2,1H3,(H,16,17)
InChIKeyWMFULLMJQHHBFB-UHFFFAOYSA-N
XLogP2.04
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid (CID 19616916) is 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid?
The InChIKey is WMFULLMJQHHBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-5(9(16)17)15-7-4-2-3-6(7)8(14-15)10(11,12)13/h5H,2-4H2,1H3,(H,16,17).
What are the key properties of 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid?
2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid has a molecular weight of 248.20 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19616916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).