methyl 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoate

C23H19FN2O3 — CID 139491126

IUPACmethyl 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoate
SMILESCCc1ccc2ccc(Oc3ccc(-c4cn[nH]c4F)cc3C(=O)OC)cc2c1
InChIInChI=1S/C23H19FN2O3/c1-3-14-4-5-15-6-8-18(11-17(15)10-14)29-21-9-7-16(12-19(21)23(27)28-2)20-13-25-26-22(20)24/h4-13H,3H2,1-2H3,(H,25,26)
InChIKeyLWXQVPRMWBHMNC-UHFFFAOYSA-N
MW390.41 g/mol
LogP5.51
Rot. Bonds5

About methyl 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoate

methyl 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoate (PubChem CID 139491126) has the molecular formula C23H19FN2O3 and a molecular weight of 390.41 g/mol. Its IUPAC name is methyl 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoate
PubChem CID139491126
Molecular FormulaC23H19FN2O3
Molecular Weight390.41 g/mol
Exact Mass390.14
IUPAC Namemethyl 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoate
SMILESCCc1ccc2ccc(Oc3ccc(-c4cn[nH]c4F)cc3C(=O)OC)cc2c1
InChIInChI=1S/C23H19FN2O3/c1-3-14-4-5-15-6-8-18(11-17(15)10-14)29-21-9-7-16(12-19(21)23(27)28-2)20-13-25-26-22(20)24/h4-13H,3H2,1-2H3,(H,25,26)
InChIKeyLWXQVPRMWBHMNC-UHFFFAOYSA-N
XLogP5.51
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.41
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoate?
The IUPAC name of methyl 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoate (CID 139491126) is methyl 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoate.
What is the SMILES notation for methyl 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoate?
The canonical SMILES for methyl 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoate is CCc1ccc2ccc(Oc3ccc(-c4cn[nH]c4F)cc3C(=O)OC)cc2c1.
What is the InChIKey of methyl 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoate?
The InChIKey is LWXQVPRMWBHMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3/c1-3-14-4-5-15-6-8-18(11-17(15)10-14)29-21-9-7-16(12-19(21)23(27)28-2)20-13-25-26-22(20)24/h4-13H,3H2,1-2H3,(H,25,26).
What are the key properties of methyl 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoate?
methyl 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoate has a molecular weight of 390.41 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-ethylnaphthalen-2-yl)oxy-5-(5-fluoro-1H-pyrazol-4-yl)benzoate is sourced from PubChem (CID 139491126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).