2-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenoxy]acetic acid

C24H22N2O4 — CID 10272453

IUPAC2-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1
InChIInChI=1S/C24H22N2O4/c27-24(28)17-30-22-9-7-19(16-26-12-3-11-25-26)15-23(22)29-13-10-18-6-8-20-4-1-2-5-21(20)14-18/h1-9,11-12,14-15H,10,13,16-17H2,(H,27,28)
InChIKeyJUZWEMPFFFBUCL-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.17
Rot. Bonds9

About 2-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenoxy]acetic acid

2-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenoxy]acetic acid (PubChem CID 10272453) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenoxy]acetic acid
PubChem CID10272453
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1
InChIInChI=1S/C24H22N2O4/c27-24(28)17-30-22-9-7-19(16-26-12-3-11-25-26)15-23(22)29-13-10-18-6-8-20-4-1-2-5-21(20)14-18/h1-9,11-12,14-15H,10,13,16-17H2,(H,27,28)
InChIKeyJUZWEMPFFFBUCL-UHFFFAOYSA-N
XLogP4.17
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenoxy]acetic acid (CID 10272453) is 2-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenoxy]acetic acid is O=C(O)COc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1.
What is the InChIKey of 2-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenoxy]acetic acid?
The InChIKey is JUZWEMPFFFBUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c27-24(28)17-30-22-9-7-19(16-26-12-3-11-25-26)15-23(22)29-13-10-18-6-8-20-4-1-2-5-21(20)14-18/h1-9,11-12,14-15H,10,13,16-17H2,(H,27,28).
What are the key properties of 2-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenoxy]acetic acid?
2-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenoxy]acetic acid has a molecular weight of 402.45 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenoxy]acetic acid is sourced from PubChem (CID 10272453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).