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

C25H24N2O4 — CID 23017109

IUPAC2-[[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]methoxy]acetic acid
SMILESO=C(O)COCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1
InChIInChI=1S/C25H24N2O4/c28-25(29)18-30-17-23-9-7-20(16-27-12-3-11-26-27)15-24(23)31-13-10-19-6-8-21-4-1-2-5-22(21)14-19/h1-9,11-12,14-15H,10,13,16-18H2,(H,28,29)
InChIKeyBHCJZNGDYXVVII-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.31
Rot. Bonds10

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

2-[[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]methoxy]acetic acid (PubChem CID 23017109) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-[[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]methoxy]acetic acid
PubChem CID23017109
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name2-[[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]methoxy]acetic acid
SMILESO=C(O)COCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1
InChIInChI=1S/C25H24N2O4/c28-25(29)18-30-17-23-9-7-20(16-27-12-3-11-26-27)15-24(23)31-13-10-19-6-8-21-4-1-2-5-22(21)14-19/h1-9,11-12,14-15H,10,13,16-18H2,(H,28,29)
InChIKeyBHCJZNGDYXVVII-UHFFFAOYSA-N
XLogP4.31
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.31
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)phenyl]methoxy]acetic acid?
The IUPAC name of 2-[[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]methoxy]acetic acid (CID 23017109) is 2-[[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]methoxy]acetic acid.
What is the SMILES notation for 2-[[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]methoxy]acetic acid?
The canonical SMILES for 2-[[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]methoxy]acetic acid is O=C(O)COCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1.
What is the InChIKey of 2-[[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]methoxy]acetic acid?
The InChIKey is BHCJZNGDYXVVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c28-25(29)18-30-17-23-9-7-20(16-27-12-3-11-26-27)15-24(23)31-13-10-19-6-8-21-4-1-2-5-22(21)14-19/h1-9,11-12,14-15H,10,13,16-18H2,(H,28,29).
What are the key properties of 2-[[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]methoxy]acetic acid?
2-[[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]methoxy]acetic acid has a molecular weight of 416.48 g/mol, XLogP of 4.31, 10 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)phenyl]methoxy]acetic acid is sourced from PubChem (CID 23017109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).