2-(1,3-diphenylpyrazol-4-yl)acetic acid

C17H14N2O2 — CID 2356939

IUPAC2-(1,3-diphenylpyrazol-4-yl)acetic acid
SMILESO=C(O)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C17H14N2O2/c20-16(21)11-14-12-19(15-9-5-2-6-10-15)18-17(14)13-7-3-1-4-8-13/h1-10,12H,11H2,(H,20,21)
InChIKeyVRKGHLXNGWRSAN-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.17
Rot. Bonds4

About 2-(1,3-diphenylpyrazol-4-yl)acetic acid

2-(1,3-diphenylpyrazol-4-yl)acetic acid (PubChem CID 2356939) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(1,3-diphenylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-diphenylpyrazol-4-yl)acetic acid
PubChem CID2356939
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-(1,3-diphenylpyrazol-4-yl)acetic acid
SMILESO=C(O)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C17H14N2O2/c20-16(21)11-14-12-19(15-9-5-2-6-10-15)18-17(14)13-7-3-1-4-8-13/h1-10,12H,11H2,(H,20,21)
InChIKeyVRKGHLXNGWRSAN-UHFFFAOYSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,3-diphenylpyrazol-4-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diphenylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(1,3-diphenylpyrazol-4-yl)acetic acid (CID 2356939) is 2-(1,3-diphenylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1,3-diphenylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(1,3-diphenylpyrazol-4-yl)acetic acid is O=C(O)Cc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-(1,3-diphenylpyrazol-4-yl)acetic acid?
The InChIKey is VRKGHLXNGWRSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-16(21)11-14-12-19(15-9-5-2-6-10-15)18-17(14)13-7-3-1-4-8-13/h1-10,12H,11H2,(H,20,21).
What are the key properties of 2-(1,3-diphenylpyrazol-4-yl)acetic acid?
2-(1,3-diphenylpyrazol-4-yl)acetic acid has a molecular weight of 278.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diphenylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 2356939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).