2-(1,5-diphenylpyrazol-3-yl)oxyacetic acid

C17H14N2O3 — CID 70584812

IUPAC2-(1,5-diphenylpyrazol-3-yl)oxyacetic acid
SMILESO=C(O)COc1cc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H14N2O3/c20-17(21)12-22-16-11-15(13-7-3-1-4-8-13)19(18-16)14-9-5-2-6-10-14/h1-11H,12H2,(H,20,21)
InChIKeyYBZLBFXTNNMXMD-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.00
Rot. Bonds5

About 2-(1,5-diphenylpyrazol-3-yl)oxyacetic acid

2-(1,5-diphenylpyrazol-3-yl)oxyacetic acid (PubChem CID 70584812) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(1,5-diphenylpyrazol-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1,5-diphenylpyrazol-3-yl)oxyacetic acid
PubChem CID70584812
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-(1,5-diphenylpyrazol-3-yl)oxyacetic acid
SMILESO=C(O)COc1cc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H14N2O3/c20-17(21)12-22-16-11-15(13-7-3-1-4-8-13)19(18-16)14-9-5-2-6-10-14/h1-11H,12H2,(H,20,21)
InChIKeyYBZLBFXTNNMXMD-UHFFFAOYSA-N
XLogP3.00
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-diphenylpyrazol-3-yl)oxyacetic acid?
The IUPAC name of 2-(1,5-diphenylpyrazol-3-yl)oxyacetic acid (CID 70584812) is 2-(1,5-diphenylpyrazol-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(1,5-diphenylpyrazol-3-yl)oxyacetic acid?
The canonical SMILES for 2-(1,5-diphenylpyrazol-3-yl)oxyacetic acid is O=C(O)COc1cc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 2-(1,5-diphenylpyrazol-3-yl)oxyacetic acid?
The InChIKey is YBZLBFXTNNMXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-17(21)12-22-16-11-15(13-7-3-1-4-8-13)19(18-16)14-9-5-2-6-10-14/h1-11H,12H2,(H,20,21).
What are the key properties of 2-(1,5-diphenylpyrazol-3-yl)oxyacetic acid?
2-(1,5-diphenylpyrazol-3-yl)oxyacetic acid has a molecular weight of 294.31 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-diphenylpyrazol-3-yl)oxyacetic acid is sourced from PubChem (CID 70584812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).