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

C7H7F3N2O2 — CID 19616392

IUPAC2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
SMILESCC(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)
InChIKeyZCDVKVBJBHRXQO-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.55
Rot. Bonds2

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

2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid (PubChem CID 19616392) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
PubChem CID19616392
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
SMILESCC(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)
InChIKeyZCDVKVBJBHRXQO-UHFFFAOYSA-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 2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid (CID 19616392) is 2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The InChIKey is ZCDVKVBJBHRXQO-UHFFFAOYSA-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).
What are the key properties of 2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
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 2-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19616392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).