1-methyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethylamino]pyrazin-2-one

C12H14F3N5O — CID 138053481

IUPAC1-methyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethylamino]pyrazin-2-one
SMILESCc1cc(C(F)(F)F)nn1CCNc1nccn(C)c1=O
InChIInChI=1S/C12H14F3N5O/c1-8-7-9(12(13,14)15)18-20(8)6-4-17-10-11(21)19(2)5-3-16-10/h3,5,7H,4,6H2,1-2H3,(H,16,17)
InChIKeyMDPBFTVUNFJFSD-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.42
Rot. Bonds4

About 1-methyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethylamino]pyrazin-2-one

1-methyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethylamino]pyrazin-2-one (PubChem CID 138053481) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is 1-methyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethylamino]pyrazin-2-one
PubChem CID138053481
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC Name1-methyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethylamino]pyrazin-2-one
SMILESCc1cc(C(F)(F)F)nn1CCNc1nccn(C)c1=O
InChIInChI=1S/C12H14F3N5O/c1-8-7-9(12(13,14)15)18-20(8)6-4-17-10-11(21)19(2)5-3-16-10/h3,5,7H,4,6H2,1-2H3,(H,16,17)
InChIKeyMDPBFTVUNFJFSD-UHFFFAOYSA-N
XLogP1.42
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethylamino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethylamino]pyrazin-2-one (CID 138053481) is 1-methyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethylamino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethylamino]pyrazin-2-one is Cc1cc(C(F)(F)F)nn1CCNc1nccn(C)c1=O.
What is the InChIKey of 1-methyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethylamino]pyrazin-2-one?
The InChIKey is MDPBFTVUNFJFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c1-8-7-9(12(13,14)15)18-20(8)6-4-17-10-11(21)19(2)5-3-16-10/h3,5,7H,4,6H2,1-2H3,(H,16,17).
What are the key properties of 1-methyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethylamino]pyrazin-2-one?
1-methyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethylamino]pyrazin-2-one has a molecular weight of 301.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethylamino]pyrazin-2-one is sourced from PubChem (CID 138053481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).