methyl 4-fluoro-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylate

C12H10F2N2O3 — CID 67363585

IUPACmethyl 4-fluoro-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccccc2F)c(OC)c1F
InChIInChI=1S/C12H10F2N2O3/c1-18-11-9(14)10(12(17)19-2)15-16(11)8-6-4-3-5-7(8)13/h3-6H,1-2H3
InChIKeyIAWPMKMETNQKJF-UHFFFAOYSA-N
MW268.22 g/mol
LogP1.95
Rot. Bonds3

About methyl 4-fluoro-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylate

methyl 4-fluoro-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylate (PubChem CID 67363585) has the molecular formula C12H10F2N2O3 and a molecular weight of 268.22 g/mol. Its IUPAC name is methyl 4-fluoro-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-fluoro-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylate
PubChem CID67363585
Molecular FormulaC12H10F2N2O3
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Namemethyl 4-fluoro-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccccc2F)c(OC)c1F
InChIInChI=1S/C12H10F2N2O3/c1-18-11-9(14)10(12(17)19-2)15-16(11)8-6-4-3-5-7(8)13/h3-6H,1-2H3
InChIKeyIAWPMKMETNQKJF-UHFFFAOYSA-N
XLogP1.95
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylate?
The IUPAC name of methyl 4-fluoro-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylate (CID 67363585) is methyl 4-fluoro-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-fluoro-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylate?
The canonical SMILES for methyl 4-fluoro-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylate is COC(=O)c1nn(-c2ccccc2F)c(OC)c1F.
What is the InChIKey of methyl 4-fluoro-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylate?
The InChIKey is IAWPMKMETNQKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3/c1-18-11-9(14)10(12(17)19-2)15-16(11)8-6-4-3-5-7(8)13/h3-6H,1-2H3.
What are the key properties of methyl 4-fluoro-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylate?
methyl 4-fluoro-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylate has a molecular weight of 268.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-1-(2-fluorophenyl)-5-methoxypyrazole-3-carboxylate is sourced from PubChem (CID 67363585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).