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

C23H17FN2O3 — CID 139491083

IUPAC2-(4-cyclopropylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid
SMILESO=C(O)c1cc(-c2cn[nH]c2F)ccc1Oc1cc(C2CC2)c2ccccc2c1
InChIInChI=1S/C23H17FN2O3/c24-22-20(12-25-26-22)15-7-8-21(19(10-15)23(27)28)29-16-9-14-3-1-2-4-17(14)18(11-16)13-5-6-13/h1-4,7-13H,5-6H2,(H,25,26)(H,27,28)
InChIKeyLJWUCPKWUQORKZ-UHFFFAOYSA-N
MW388.40 g/mol
LogP5.74
Rot. Bonds5

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

2-(4-cyclopropylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid (PubChem CID 139491083) has the molecular formula C23H17FN2O3 and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-(4-cyclopropylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid.

Molecular Properties

Compound Name2-(4-cyclopropylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid
PubChem CID139491083
Molecular FormulaC23H17FN2O3
Molecular Weight388.40 g/mol
Exact Mass388.12
IUPAC Name2-(4-cyclopropylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid
SMILESO=C(O)c1cc(-c2cn[nH]c2F)ccc1Oc1cc(C2CC2)c2ccccc2c1
InChIInChI=1S/C23H17FN2O3/c24-22-20(12-25-26-22)15-7-8-21(19(10-15)23(27)28)29-16-9-14-3-1-2-4-17(14)18(11-16)13-5-6-13/h1-4,7-13H,5-6H2,(H,25,26)(H,27,28)
InChIKeyLJWUCPKWUQORKZ-UHFFFAOYSA-N
XLogP5.74
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.40
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid?
The IUPAC name of 2-(4-cyclopropylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid (CID 139491083) is 2-(4-cyclopropylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid.
What is the SMILES notation for 2-(4-cyclopropylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid?
The canonical SMILES for 2-(4-cyclopropylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid is O=C(O)c1cc(-c2cn[nH]c2F)ccc1Oc1cc(C2CC2)c2ccccc2c1.
What is the InChIKey of 2-(4-cyclopropylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid?
The InChIKey is LJWUCPKWUQORKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3/c24-22-20(12-25-26-22)15-7-8-21(19(10-15)23(27)28)29-16-9-14-3-1-2-4-17(14)18(11-16)13-5-6-13/h1-4,7-13H,5-6H2,(H,25,26)(H,27,28).
What are the key properties of 2-(4-cyclopropylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid?
2-(4-cyclopropylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid has a molecular weight of 388.40 g/mol, XLogP of 5.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid is sourced from PubChem (CID 139491083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).