ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate

C14H15FN2O3 — CID 159383303

IUPACethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
SMILESCCOC(=O)c1cccc(F)c1COc1ccn(C)n1
InChIInChI=1S/C14H15FN2O3/c1-3-19-14(18)10-5-4-6-12(15)11(10)9-20-13-7-8-17(2)16-13/h4-8H,3,9H2,1-2H3
InChIKeyLLEIVHRDOGCRKW-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.31
Rot. Bonds5

About ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate

ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate (PubChem CID 159383303) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate.

Molecular Properties

Compound Nameethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
PubChem CID159383303
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Nameethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
SMILESCCOC(=O)c1cccc(F)c1COc1ccn(C)n1
InChIInChI=1S/C14H15FN2O3/c1-3-19-14(18)10-5-4-6-12(15)11(10)9-20-13-7-8-17(2)16-13/h4-8H,3,9H2,1-2H3
InChIKeyLLEIVHRDOGCRKW-UHFFFAOYSA-N
XLogP2.31
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-prop-1-en-2-ylbenzoate
CID 160994598
ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-propylbenzoate
CID 160566932
methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 138495699
3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzamide
CID 126579687
propyl 3-(difluoromethoxy)-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 159704171
propyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-(trifluoromethoxy)benzoate
CID 161300654
methyl 3-bromo-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 158573209
ethyl 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-propylbenzoate
CID 126579222
3-ethoxy-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoyl chloride
CID 161470695
ethyl 3-cyclopropyl-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoate
CID 126579791
ethyl 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzoate
CID 126579574
N-chloro-3-ethyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzamide
CID 157106420

Frequently Asked Questions

What is the IUPAC name of ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate?
The IUPAC name of ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate (CID 159383303) is ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate.
What is the SMILES notation for ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate?
The canonical SMILES for ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate is CCOC(=O)c1cccc(F)c1COc1ccn(C)n1.
What is the InChIKey of ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate?
The InChIKey is LLEIVHRDOGCRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-3-19-14(18)10-5-4-6-12(15)11(10)9-20-13-7-8-17(2)16-13/h4-8H,3,9H2,1-2H3.
What are the key properties of ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate?
ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate has a molecular weight of 278.28 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate is sourced from PubChem (CID 159383303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).