6-methyl-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-2-one

C12H12F3N5O — CID 139019410

IUPAC6-methyl-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-2-one
SMILESCC1CN(c2nccn3nc(C(F)(F)F)cc23)CC(=O)N1
InChIInChI=1S/C12H12F3N5O/c1-7-5-19(6-10(21)17-7)11-8-4-9(12(13,14)15)18-20(8)3-2-16-11/h2-4,7H,5-6H2,1H3,(H,17,21)
InChIKeyUMMIKVGUMOTERL-UHFFFAOYSA-N
MW299.26 g/mol
LogP1.07
Rot. Bonds1

About 6-methyl-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-2-one

6-methyl-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-2-one (PubChem CID 139019410) has the molecular formula C12H12F3N5O and a molecular weight of 299.26 g/mol. Its IUPAC name is 6-methyl-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name6-methyl-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-2-one
PubChem CID139019410
Molecular FormulaC12H12F3N5O
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC Name6-methyl-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-2-one
SMILESCC1CN(c2nccn3nc(C(F)(F)F)cc23)CC(=O)N1
InChIInChI=1S/C12H12F3N5O/c1-7-5-19(6-10(21)17-7)11-8-4-9(12(13,14)15)18-20(8)3-2-16-11/h2-4,7H,5-6H2,1H3,(H,17,21)
InChIKeyUMMIKVGUMOTERL-UHFFFAOYSA-N
XLogP1.07
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-2-one?
The IUPAC name of 6-methyl-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-2-one (CID 139019410) is 6-methyl-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-2-one.
What is the SMILES notation for 6-methyl-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-2-one?
The canonical SMILES for 6-methyl-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-2-one is CC1CN(c2nccn3nc(C(F)(F)F)cc23)CC(=O)N1.
What is the InChIKey of 6-methyl-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-2-one?
The InChIKey is UMMIKVGUMOTERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O/c1-7-5-19(6-10(21)17-7)11-8-4-9(12(13,14)15)18-20(8)3-2-16-11/h2-4,7H,5-6H2,1H3,(H,17,21).
What are the key properties of 6-methyl-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-2-one?
6-methyl-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-2-one has a molecular weight of 299.26 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-2-one is sourced from PubChem (CID 139019410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).