ethyl 1-(difluoromethyl)-3-methoxypyrazole-4-carboxylate

C8H10F2N2O3 — CID 146256717

IUPACethyl 1-(difluoromethyl)-3-methoxypyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C(F)F)nc1OC
InChIInChI=1S/C8H10F2N2O3/c1-3-15-7(13)5-4-12(8(9)10)11-6(5)14-2/h4,8H,3H2,1-2H3
InChIKeyBGGCJXLJOSWIEJ-UHFFFAOYSA-N
MW220.17 g/mol
LogP1.46
Rot. Bonds4

About ethyl 1-(difluoromethyl)-3-methoxypyrazole-4-carboxylate

ethyl 1-(difluoromethyl)-3-methoxypyrazole-4-carboxylate (PubChem CID 146256717) has the molecular formula C8H10F2N2O3 and a molecular weight of 220.17 g/mol. Its IUPAC name is ethyl 1-(difluoromethyl)-3-methoxypyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(difluoromethyl)-3-methoxypyrazole-4-carboxylate
PubChem CID146256717
Molecular FormulaC8H10F2N2O3
Molecular Weight220.17 g/mol
Exact Mass220.07
IUPAC Nameethyl 1-(difluoromethyl)-3-methoxypyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C(F)F)nc1OC
InChIInChI=1S/C8H10F2N2O3/c1-3-15-7(13)5-4-12(8(9)10)11-6(5)14-2/h4,8H,3H2,1-2H3
InChIKeyBGGCJXLJOSWIEJ-UHFFFAOYSA-N
XLogP1.46
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(difluoromethyl)-3-methoxypyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(difluoromethyl)-3-methoxypyrazole-4-carboxylate (CID 146256717) is ethyl 1-(difluoromethyl)-3-methoxypyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(difluoromethyl)-3-methoxypyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(difluoromethyl)-3-methoxypyrazole-4-carboxylate is CCOC(=O)c1cn(C(F)F)nc1OC.
What is the InChIKey of ethyl 1-(difluoromethyl)-3-methoxypyrazole-4-carboxylate?
The InChIKey is BGGCJXLJOSWIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O3/c1-3-15-7(13)5-4-12(8(9)10)11-6(5)14-2/h4,8H,3H2,1-2H3.
What are the key properties of ethyl 1-(difluoromethyl)-3-methoxypyrazole-4-carboxylate?
ethyl 1-(difluoromethyl)-3-methoxypyrazole-4-carboxylate has a molecular weight of 220.17 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(difluoromethyl)-3-methoxypyrazole-4-carboxylate is sourced from PubChem (CID 146256717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).