(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid

C7H7F3N2O2 — CID 7017528

IUPAC(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O2/c1-4(6(13)14)12-3-2-5(11-12)7(8,9)10/h2-4H,1H3,(H,13,14)/t4-/m1/s1
InChIKeyZCDVKVBJBHRXQO-SCSAIBSYSA-N
MW208.14 g/mol
LogP1.55
Rot. Bonds2

About (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid

(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid (PubChem CID 7017528) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
PubChem CID7017528
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O2/c1-4(6(13)14)12-3-2-5(11-12)7(8,9)10/h2-4H,1H3,(H,13,14)/t4-/m1/s1
InChIKeyZCDVKVBJBHRXQO-SCSAIBSYSA-N
XLogP1.55
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid (CID 7017528) is (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid is C[C@H](C(=O)O)n1ccc(C(F)(F)F)n1.
What is the InChIKey of (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The InChIKey is ZCDVKVBJBHRXQO-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-4(6(13)14)12-3-2-5(11-12)7(8,9)10/h2-4H,1H3,(H,13,14)/t4-/m1/s1.
What are the key properties of (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid has a molecular weight of 208.14 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 7017528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).