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

C9H7F3N4O — CID 137183406

IUPAC5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrazin-2-one
SMILESCn1nc(C(F)(F)F)cc1-c1c[nH]c(=O)cn1
InChIInChI=1S/C9H7F3N4O/c1-16-6(2-7(15-16)9(10,11)12)5-3-14-8(17)4-13-5/h2-4H,1H3,(H,14,17)
InChIKeyJKLHFOLWOPOCJO-UHFFFAOYSA-N
MW244.18 g/mol
LogP1.19
Rot. Bonds1

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

5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrazin-2-one (PubChem CID 137183406) has the molecular formula C9H7F3N4O and a molecular weight of 244.18 g/mol. Its IUPAC name is 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrazin-2-one
PubChem CID137183406
Molecular FormulaC9H7F3N4O
Molecular Weight244.18 g/mol
Exact Mass244.06
IUPAC Name5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrazin-2-one
SMILESCn1nc(C(F)(F)F)cc1-c1c[nH]c(=O)cn1
InChIInChI=1S/C9H7F3N4O/c1-16-6(2-7(15-16)9(10,11)12)5-3-14-8(17)4-13-5/h2-4H,1H3,(H,14,17)
InChIKeyJKLHFOLWOPOCJO-UHFFFAOYSA-N
XLogP1.19
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrazin-2-one?
The IUPAC name of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrazin-2-one (CID 137183406) is 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrazin-2-one is Cn1nc(C(F)(F)F)cc1-c1c[nH]c(=O)cn1.
What is the InChIKey of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrazin-2-one?
The InChIKey is JKLHFOLWOPOCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O/c1-16-6(2-7(15-16)9(10,11)12)5-3-14-8(17)4-13-5/h2-4H,1H3,(H,14,17).
What are the key properties of 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrazin-2-one?
5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrazin-2-one has a molecular weight of 244.18 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 137183406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).