2-[2-(4-methyl-1H-pyrazol-5-yl)phenoxy]-2-phenylacetic acid

C18H16N2O3 — CID 166402604

IUPAC2-[2-(4-methyl-1H-pyrazol-5-yl)phenoxy]-2-phenylacetic acid
SMILESCc1cn[nH]c1-c1ccccc1OC(C(=O)O)c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-12-11-19-20-16(12)14-9-5-6-10-15(14)23-17(18(21)22)13-7-3-2-4-8-13/h2-11,17H,1H3,(H,19,20)(H,21,22)
InChIKeyRVVYZUJCPUTLCZ-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.59
Rot. Bonds5

About 2-[2-(4-methyl-1H-pyrazol-5-yl)phenoxy]-2-phenylacetic acid

2-[2-(4-methyl-1H-pyrazol-5-yl)phenoxy]-2-phenylacetic acid (PubChem CID 166402604) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[2-(4-methyl-1H-pyrazol-5-yl)phenoxy]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[2-(4-methyl-1H-pyrazol-5-yl)phenoxy]-2-phenylacetic acid
PubChem CID166402604
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-[2-(4-methyl-1H-pyrazol-5-yl)phenoxy]-2-phenylacetic acid
SMILESCc1cn[nH]c1-c1ccccc1OC(C(=O)O)c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-12-11-19-20-16(12)14-9-5-6-10-15(14)23-17(18(21)22)13-7-3-2-4-8-13/h2-11,17H,1H3,(H,19,20)(H,21,22)
InChIKeyRVVYZUJCPUTLCZ-UHFFFAOYSA-N
XLogP3.59
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-1H-pyrazol-5-yl)phenoxy]-2-phenylacetic acid?
The IUPAC name of 2-[2-(4-methyl-1H-pyrazol-5-yl)phenoxy]-2-phenylacetic acid (CID 166402604) is 2-[2-(4-methyl-1H-pyrazol-5-yl)phenoxy]-2-phenylacetic acid.
What is the SMILES notation for 2-[2-(4-methyl-1H-pyrazol-5-yl)phenoxy]-2-phenylacetic acid?
The canonical SMILES for 2-[2-(4-methyl-1H-pyrazol-5-yl)phenoxy]-2-phenylacetic acid is Cc1cn[nH]c1-c1ccccc1OC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[2-(4-methyl-1H-pyrazol-5-yl)phenoxy]-2-phenylacetic acid?
The InChIKey is RVVYZUJCPUTLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-11-19-20-16(12)14-9-5-6-10-15(14)23-17(18(21)22)13-7-3-2-4-8-13/h2-11,17H,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[2-(4-methyl-1H-pyrazol-5-yl)phenoxy]-2-phenylacetic acid?
2-[2-(4-methyl-1H-pyrazol-5-yl)phenoxy]-2-phenylacetic acid has a molecular weight of 308.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-1H-pyrazol-5-yl)phenoxy]-2-phenylacetic acid is sourced from PubChem (CID 166402604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).