2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetic acid

C7H7F3N2O3 — CID 2801295

IUPAC2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetic acid
SMILESCn1nc(OCC(=O)O)cc1C(F)(F)F
InChIInChI=1S/C7H7F3N2O3/c1-12-4(7(8,9)10)2-5(11-12)15-3-6(13)14/h2H,3H2,1H3,(H,13,14)
InChIKeyVLAACZMRCPBYLU-UHFFFAOYSA-N
MW224.14 g/mol
LogP0.90
Rot. Bonds3

About 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetic acid

2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetic acid (PubChem CID 2801295) has the molecular formula C7H7F3N2O3 and a molecular weight of 224.14 g/mol. Its IUPAC name is 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetic acid
PubChem CID2801295
Molecular FormulaC7H7F3N2O3
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Name2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetic acid
SMILESCn1nc(OCC(=O)O)cc1C(F)(F)F
InChIInChI=1S/C7H7F3N2O3/c1-12-4(7(8,9)10)2-5(11-12)15-3-6(13)14/h2H,3H2,1H3,(H,13,14)
InChIKeyVLAACZMRCPBYLU-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetic acid (CID 2801295) is 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetic acid is Cn1nc(OCC(=O)O)cc1C(F)(F)F.
What is the InChIKey of 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetic acid?
The InChIKey is VLAACZMRCPBYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O3/c1-12-4(7(8,9)10)2-5(11-12)15-3-6(13)14/h2H,3H2,1H3,(H,13,14).
What are the key properties of 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetic acid?
2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetic acid has a molecular weight of 224.14 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetic acid is sourced from PubChem (CID 2801295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).