methyl 5-(5-fluoro-1H-pyrazol-4-yl)-2-naphthalen-1-yloxybenzoate

C21H15FN2O3 — CID 155459466

IUPACmethyl 5-(5-fluoro-1H-pyrazol-4-yl)-2-naphthalen-1-yloxybenzoate
SMILESCOC(=O)c1cc(-c2cn[nH]c2F)ccc1Oc1cccc2ccccc12
InChIInChI=1S/C21H15FN2O3/c1-26-21(25)16-11-14(17-12-23-24-20(17)22)9-10-19(16)27-18-8-4-6-13-5-2-3-7-15(13)18/h2-12H,1H3,(H,23,24)
InChIKeyMUVQXHSYOKINST-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.95
Rot. Bonds4

About methyl 5-(5-fluoro-1H-pyrazol-4-yl)-2-naphthalen-1-yloxybenzoate

methyl 5-(5-fluoro-1H-pyrazol-4-yl)-2-naphthalen-1-yloxybenzoate (PubChem CID 155459466) has the molecular formula C21H15FN2O3 and a molecular weight of 362.36 g/mol. Its IUPAC name is methyl 5-(5-fluoro-1H-pyrazol-4-yl)-2-naphthalen-1-yloxybenzoate.

Molecular Properties

Compound Namemethyl 5-(5-fluoro-1H-pyrazol-4-yl)-2-naphthalen-1-yloxybenzoate
PubChem CID155459466
Molecular FormulaC21H15FN2O3
Molecular Weight362.36 g/mol
Exact Mass362.11
IUPAC Namemethyl 5-(5-fluoro-1H-pyrazol-4-yl)-2-naphthalen-1-yloxybenzoate
SMILESCOC(=O)c1cc(-c2cn[nH]c2F)ccc1Oc1cccc2ccccc12
InChIInChI=1S/C21H15FN2O3/c1-26-21(25)16-11-14(17-12-23-24-20(17)22)9-10-19(16)27-18-8-4-6-13-5-2-3-7-15(13)18/h2-12H,1H3,(H,23,24)
InChIKeyMUVQXHSYOKINST-UHFFFAOYSA-N
XLogP4.95
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-fluoro-1H-pyrazol-4-yl)-2-naphthalen-1-yloxybenzoate?
The IUPAC name of methyl 5-(5-fluoro-1H-pyrazol-4-yl)-2-naphthalen-1-yloxybenzoate (CID 155459466) is methyl 5-(5-fluoro-1H-pyrazol-4-yl)-2-naphthalen-1-yloxybenzoate.
What is the SMILES notation for methyl 5-(5-fluoro-1H-pyrazol-4-yl)-2-naphthalen-1-yloxybenzoate?
The canonical SMILES for methyl 5-(5-fluoro-1H-pyrazol-4-yl)-2-naphthalen-1-yloxybenzoate is COC(=O)c1cc(-c2cn[nH]c2F)ccc1Oc1cccc2ccccc12.
What is the InChIKey of methyl 5-(5-fluoro-1H-pyrazol-4-yl)-2-naphthalen-1-yloxybenzoate?
The InChIKey is MUVQXHSYOKINST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O3/c1-26-21(25)16-11-14(17-12-23-24-20(17)22)9-10-19(16)27-18-8-4-6-13-5-2-3-7-15(13)18/h2-12H,1H3,(H,23,24).
What are the key properties of methyl 5-(5-fluoro-1H-pyrazol-4-yl)-2-naphthalen-1-yloxybenzoate?
methyl 5-(5-fluoro-1H-pyrazol-4-yl)-2-naphthalen-1-yloxybenzoate has a molecular weight of 362.36 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-fluoro-1H-pyrazol-4-yl)-2-naphthalen-1-yloxybenzoate is sourced from PubChem (CID 155459466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).