2-chloro-6-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine

C11H10ClF3N4 — CID 118095155

IUPAC2-chloro-6-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine
SMILESCc1nn(CC(F)(F)F)c(C)c1-c1cncc(Cl)n1
InChIInChI=1S/C11H10ClF3N4/c1-6-10(8-3-16-4-9(12)17-8)7(2)19(18-6)5-11(13,14)15/h3-4H,5H2,1-2H3
InChIKeyPGQFUTWJVIEPOX-UHFFFAOYSA-N
MW290.68 g/mol
LogP3.17
Rot. Bonds2

About 2-chloro-6-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine

2-chloro-6-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine (PubChem CID 118095155) has the molecular formula C11H10ClF3N4 and a molecular weight of 290.68 g/mol. Its IUPAC name is 2-chloro-6-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine
PubChem CID118095155
Molecular FormulaC11H10ClF3N4
Molecular Weight290.68 g/mol
Exact Mass290.05
IUPAC Name2-chloro-6-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine
SMILESCc1nn(CC(F)(F)F)c(C)c1-c1cncc(Cl)n1
InChIInChI=1S/C11H10ClF3N4/c1-6-10(8-3-16-4-9(12)17-8)7(2)19(18-6)5-11(13,14)15/h3-4H,5H2,1-2H3
InChIKeyPGQFUTWJVIEPOX-UHFFFAOYSA-N
XLogP3.17
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine?
The IUPAC name of 2-chloro-6-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine (CID 118095155) is 2-chloro-6-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine.
What is the SMILES notation for 2-chloro-6-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine?
The canonical SMILES for 2-chloro-6-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine is Cc1nn(CC(F)(F)F)c(C)c1-c1cncc(Cl)n1.
What is the InChIKey of 2-chloro-6-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine?
The InChIKey is PGQFUTWJVIEPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4/c1-6-10(8-3-16-4-9(12)17-8)7(2)19(18-6)5-11(13,14)15/h3-4H,5H2,1-2H3.
What are the key properties of 2-chloro-6-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine?
2-chloro-6-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine has a molecular weight of 290.68 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazine is sourced from PubChem (CID 118095155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).