2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid

C22H17FN2O3 — CID 139491105

IUPAC2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid
SMILESCCc1ccc2ccc(Oc3ccc(-c4cn[nH]c4F)cc3C(=O)O)cc2c1
InChIInChI=1S/C22H17FN2O3/c1-2-13-3-4-14-5-7-17(10-16(14)9-13)28-20-8-6-15(11-18(20)22(26)27)19-12-24-25-21(19)23/h3-12H,2H2,1H3,(H,24,25)(H,26,27)
InChIKeyFOEXQCAOXIOSPF-UHFFFAOYSA-N
MW376.39 g/mol
LogP5.42
Rot. Bonds5

About 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid

2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid (PubChem CID 139491105) has the molecular formula C22H17FN2O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid.

Molecular Properties

Compound Name2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid
PubChem CID139491105
Molecular FormulaC22H17FN2O3
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC Name2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid
SMILESCCc1ccc2ccc(Oc3ccc(-c4cn[nH]c4F)cc3C(=O)O)cc2c1
InChIInChI=1S/C22H17FN2O3/c1-2-13-3-4-14-5-7-17(10-16(14)9-13)28-20-8-6-15(11-18(20)22(26)27)19-12-24-25-21(19)23/h3-12H,2H2,1H3,(H,24,25)(H,26,27)
InChIKeyFOEXQCAOXIOSPF-UHFFFAOYSA-N
XLogP5.42
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.39
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-cyclopropylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid
CID 139490986
methyl 5-(5-fluoro-1H-pyrazol-4-yl)-2-naphthalen-1-yloxybenzoate
CID 155459466
5-ethyl-2-methoxybenzoic acid
CID 20721149
5-chloro-2-(4-chloro-3-ethylphenoxy)benzoic acid
CID 63460743
2-(4-fluorophenoxy)-5-methylbenzoic acid
CID 22767862
5-bromo-2-(4-fluorophenoxy)benzoic acid;methyl 5-bromo-2-(4-fluorophenoxy)benzoate
CID 164969809
6-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]-2,3-difluoronaphthalene
CID 139846760
2-butoxy-4-ethylbenzoic acid
CID 174580616
4-(4-ethyl-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 107664132
5-fluoro-4-(4-methylphenyl)-1H-pyrazole
CID 137387558
5-decan-2-yl-2-(4-fluorophenoxy)benzoic acid
CID 167018510
2-(4-fluorophenoxy)-5-iodobenzoic acid
CID 70332778

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid?
The IUPAC name of 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid (CID 139491105) is 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid.
What is the SMILES notation for 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid?
The canonical SMILES for 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid is CCc1ccc2ccc(Oc3ccc(-c4cn[nH]c4F)cc3C(=O)O)cc2c1.
What is the InChIKey of 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid?
The InChIKey is FOEXQCAOXIOSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3/c1-2-13-3-4-14-5-7-17(10-16(14)9-13)28-20-8-6-15(11-18(20)22(26)27)19-12-24-25-21(19)23/h3-12H,2H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid?
2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid has a molecular weight of 376.39 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid is sourced from PubChem (CID 139491105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).