methyl 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)benzoate

C18H15FN2O3 — CID 67107242

IUPACmethyl 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)benzoate
SMILESCOC(=O)c1cc(-c2cn[nH]c2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C18H15FN2O3/c1-23-18(22)16-8-13(14-9-20-21-10-14)4-7-17(16)24-11-12-2-5-15(19)6-3-12/h2-10H,11H2,1H3,(H,20,21)
InChIKeyOLRSDFSIPHACNC-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.58
Rot. Bonds5

About methyl 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)benzoate

methyl 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)benzoate (PubChem CID 67107242) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is methyl 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)benzoate
PubChem CID67107242
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Namemethyl 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)benzoate
SMILESCOC(=O)c1cc(-c2cn[nH]c2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C18H15FN2O3/c1-23-18(22)16-8-13(14-9-20-21-10-14)4-7-17(16)24-11-12-2-5-15(19)6-3-12/h2-10H,11H2,1H3,(H,20,21)
InChIKeyOLRSDFSIPHACNC-UHFFFAOYSA-N
XLogP3.58
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)benzoate?
The IUPAC name of methyl 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)benzoate (CID 67107242) is methyl 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)benzoate.
What is the SMILES notation for methyl 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)benzoate?
The canonical SMILES for methyl 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)benzoate is COC(=O)c1cc(-c2cn[nH]c2)ccc1OCc1ccc(F)cc1.
What is the InChIKey of methyl 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)benzoate?
The InChIKey is OLRSDFSIPHACNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-23-18(22)16-8-13(14-9-20-21-10-14)4-7-17(16)24-11-12-2-5-15(19)6-3-12/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of methyl 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)benzoate?
methyl 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)benzoate has a molecular weight of 326.33 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)benzoate is sourced from PubChem (CID 67107242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).