ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate

C11H10F2N4O2 — CID 146381536

IUPACethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2cnccn2)nc1C(F)F
InChIInChI=1S/C11H10F2N4O2/c1-2-19-11(18)7-6-17(16-9(7)10(12)13)8-5-14-3-4-15-8/h3-6,10H,2H2,1H3
InChIKeyBFFVLKFTRGMHAR-UHFFFAOYSA-N
MW268.22 g/mol
LogP1.78
Rot. Bonds4

About ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate

ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate (PubChem CID 146381536) has the molecular formula C11H10F2N4O2 and a molecular weight of 268.22 g/mol. Its IUPAC name is ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate
PubChem CID146381536
Molecular FormulaC11H10F2N4O2
Molecular Weight268.22 g/mol
Exact Mass268.08
IUPAC Nameethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2cnccn2)nc1C(F)F
InChIInChI=1S/C11H10F2N4O2/c1-2-19-11(18)7-6-17(16-9(7)10(12)13)8-5-14-3-4-15-8/h3-6,10H,2H2,1H3
InChIKeyBFFVLKFTRGMHAR-UHFFFAOYSA-N
XLogP1.78
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate?
The IUPAC name of ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate (CID 146381536) is ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate is CCOC(=O)c1cn(-c2cnccn2)nc1C(F)F.
What is the InChIKey of ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate?
The InChIKey is BFFVLKFTRGMHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O2/c1-2-19-11(18)7-6-17(16-9(7)10(12)13)8-5-14-3-4-15-8/h3-6,10H,2H2,1H3.
What are the key properties of ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate?
ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate has a molecular weight of 268.22 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(difluoromethyl)-1-pyrazin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 146381536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).