2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]benzoic acid

C20H19FN2O4 — CID 123327184

IUPAC2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]benzoic acid
SMILESCOCCn1cc(-c2ccc(OCc3ccc(F)cc3)c(C(=O)O)c2)cn1
InChIInChI=1S/C20H19FN2O4/c1-26-9-8-23-12-16(11-22-23)15-4-7-19(18(10-15)20(24)25)27-13-14-2-5-17(21)6-3-14/h2-7,10-12H,8-9,13H2,1H3,(H,24,25)
InChIKeyIMPPYANRQLNQGJ-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.61
Rot. Bonds8

About 2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]benzoic acid

2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]benzoic acid (PubChem CID 123327184) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]benzoic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]benzoic acid
PubChem CID123327184
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]benzoic acid
SMILESCOCCn1cc(-c2ccc(OCc3ccc(F)cc3)c(C(=O)O)c2)cn1
InChIInChI=1S/C20H19FN2O4/c1-26-9-8-23-12-16(11-22-23)15-4-7-19(18(10-15)20(24)25)27-13-14-2-5-17(21)6-3-14/h2-7,10-12H,8-9,13H2,1H3,(H,24,25)
InChIKeyIMPPYANRQLNQGJ-UHFFFAOYSA-N
XLogP3.61
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]benzoic acid?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]benzoic acid (CID 123327184) is 2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]benzoic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]benzoic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]benzoic acid is COCCn1cc(-c2ccc(OCc3ccc(F)cc3)c(C(=O)O)c2)cn1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]benzoic acid?
The InChIKey is IMPPYANRQLNQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-26-9-8-23-12-16(11-22-23)15-4-7-19(18(10-15)20(24)25)27-13-14-2-5-17(21)6-3-14/h2-7,10-12H,8-9,13H2,1H3,(H,24,25).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]benzoic acid?
2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]benzoic acid has a molecular weight of 370.38 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-5-[1-(2-methoxyethyl)pyrazol-4-yl]benzoic acid is sourced from PubChem (CID 123327184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).