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

C7H7F3N2O2 — CID 19576809

IUPAC3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)5-1-3-12(11-5)4-2-6(13)14/h1,3H,2,4H2,(H,13,14)
InChIKeyZTWFJHAQKMQGDY-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.38
Rot. Bonds3

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

3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid (PubChem CID 19576809) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
PubChem CID19576809
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)5-1-3-12(11-5)4-2-6(13)14/h1,3H,2,4H2,(H,13,14)
InChIKeyZTWFJHAQKMQGDY-UHFFFAOYSA-N
XLogP1.38
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid (CID 19576809) is 3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid is O=C(O)CCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The InChIKey is ZTWFJHAQKMQGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c8-7(9,10)5-1-3-12(11-5)4-2-6(13)14/h1,3H,2,4H2,(H,13,14).
What are the key properties of 3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid has a molecular weight of 208.14 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19576809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).