2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetic acid

C18H16N2O3 — CID 3646870

IUPAC2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetic acid
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)O)cc1
InChIInChI=1S/C18H16N2O3/c1-23-16-9-7-13(8-10-16)18-14(11-17(21)22)12-20(19-18)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeyIIVBHUZWOHMSMY-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.17
Rot. Bonds5

About 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetic acid

2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetic acid (PubChem CID 3646870) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetic acid
PubChem CID3646870
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetic acid
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)O)cc1
InChIInChI=1S/C18H16N2O3/c1-23-16-9-7-13(8-10-16)18-14(11-17(21)22)12-20(19-18)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeyIIVBHUZWOHMSMY-UHFFFAOYSA-N
XLogP3.17
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-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-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetic acid (CID 3646870) is 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetic acid is COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)O)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetic acid?
The InChIKey is IIVBHUZWOHMSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-23-16-9-7-13(8-10-16)18-14(11-17(21)22)12-20(19-18)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,21,22).
What are the key properties of 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetic acid?
2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetic acid has a molecular weight of 308.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 3646870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).