ethyl 1-[2-fluoro-6-(methoxymethyl)phenyl]-3-methylpyrazole-4-carboxylate

C15H17FN2O3 — CID 67168434

IUPACethyl 1-[2-fluoro-6-(methoxymethyl)phenyl]-3-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2c(F)cccc2COC)nc1C
InChIInChI=1S/C15H17FN2O3/c1-4-21-15(19)12-8-18(17-10(12)2)14-11(9-20-3)6-5-7-13(14)16/h5-8H,4,9H2,1-3H3
InChIKeyRAZBGYBESVKZGE-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.64
Rot. Bonds5

About ethyl 1-[2-fluoro-6-(methoxymethyl)phenyl]-3-methylpyrazole-4-carboxylate

ethyl 1-[2-fluoro-6-(methoxymethyl)phenyl]-3-methylpyrazole-4-carboxylate (PubChem CID 67168434) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is ethyl 1-[2-fluoro-6-(methoxymethyl)phenyl]-3-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-fluoro-6-(methoxymethyl)phenyl]-3-methylpyrazole-4-carboxylate
PubChem CID67168434
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Nameethyl 1-[2-fluoro-6-(methoxymethyl)phenyl]-3-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2c(F)cccc2COC)nc1C
InChIInChI=1S/C15H17FN2O3/c1-4-21-15(19)12-8-18(17-10(12)2)14-11(9-20-3)6-5-7-13(14)16/h5-8H,4,9H2,1-3H3
InChIKeyRAZBGYBESVKZGE-UHFFFAOYSA-N
XLogP2.64
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-fluoro-6-(methoxymethyl)phenyl]-3-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[2-fluoro-6-(methoxymethyl)phenyl]-3-methylpyrazole-4-carboxylate (CID 67168434) is ethyl 1-[2-fluoro-6-(methoxymethyl)phenyl]-3-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-fluoro-6-(methoxymethyl)phenyl]-3-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[2-fluoro-6-(methoxymethyl)phenyl]-3-methylpyrazole-4-carboxylate is CCOC(=O)c1cn(-c2c(F)cccc2COC)nc1C.
What is the InChIKey of ethyl 1-[2-fluoro-6-(methoxymethyl)phenyl]-3-methylpyrazole-4-carboxylate?
The InChIKey is RAZBGYBESVKZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-4-21-15(19)12-8-18(17-10(12)2)14-11(9-20-3)6-5-7-13(14)16/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl 1-[2-fluoro-6-(methoxymethyl)phenyl]-3-methylpyrazole-4-carboxylate?
ethyl 1-[2-fluoro-6-(methoxymethyl)phenyl]-3-methylpyrazole-4-carboxylate has a molecular weight of 292.31 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-fluoro-6-(methoxymethyl)phenyl]-3-methylpyrazole-4-carboxylate is sourced from PubChem (CID 67168434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).