2-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid

C11H11F3N2O2 — CID 90150282

IUPAC2-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C2=CCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)10-8(7-3-1-2-4-7)5-16(15-10)6-9(17)18/h3,5H,1-2,4,6H2,(H,17,18)
InChIKeyCUSZVKFFNCWGTD-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.55
Rot. Bonds3

About 2-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid

2-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid (PubChem CID 90150282) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 2-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
PubChem CID90150282
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name2-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(C2=CCCC2)c(C(F)(F)F)n1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)10-8(7-3-1-2-4-7)5-16(15-10)6-9(17)18/h3,5H,1-2,4,6H2,(H,17,18)
InChIKeyCUSZVKFFNCWGTD-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid (CID 90150282) is 2-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(C2=CCCC2)c(C(F)(F)F)n1.
What is the InChIKey of 2-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid?
The InChIKey is CUSZVKFFNCWGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)10-8(7-3-1-2-4-7)5-16(15-10)6-9(17)18/h3,5H,1-2,4,6H2,(H,17,18).
What are the key properties of 2-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid?
2-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid has a molecular weight of 260.21 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopenten-1-yl)-3-(trifluoromethyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 90150282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).