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

C10H11F3N2O2 — CID 42574010

IUPAC(2S)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid
SMILESC[C@@H](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)/t5-/m0/s1
InChIKeyWMFULLMJQHHBFB-YFKPBYRVSA-N
MW248.20 g/mol
LogP2.04
Rot. Bonds2

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

(2S)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid (PubChem CID 42574010) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is (2S)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid
PubChem CID42574010
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name(2S)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid
SMILESC[C@@H](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)/t5-/m0/s1
InChIKeyWMFULLMJQHHBFB-YFKPBYRVSA-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 (2S)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid?
The IUPAC name of (2S)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid (CID 42574010) is (2S)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid?
The canonical SMILES for (2S)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid is C[C@@H](C(=O)O)n1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of (2S)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid?
The InChIKey is WMFULLMJQHHBFB-YFKPBYRVSA-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)/t5-/m0/s1.
What are the key properties of (2S)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid?
(2S)-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 (2S)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 42574010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).