2-(1-methylpyrazol-4-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine

C14H17F3N6 — CID 163352603

IUPAC2-(1-methylpyrazol-4-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine
SMILESCn1cc(-c2cncc(N3CCN(CC(F)(F)F)CC3)n2)cn1
InChIInChI=1S/C14H17F3N6/c1-21-9-11(6-19-21)12-7-18-8-13(20-12)23-4-2-22(3-5-23)10-14(15,16)17/h6-9H,2-5,10H2,1H3
InChIKeyWGAQSPQZNUPJFS-UHFFFAOYSA-N
MW326.33 g/mol
LogP1.56
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine

2-(1-methylpyrazol-4-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine (PubChem CID 163352603) has the molecular formula C14H17F3N6 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine
PubChem CID163352603
Molecular FormulaC14H17F3N6
Molecular Weight326.33 g/mol
Exact Mass326.15
IUPAC Name2-(1-methylpyrazol-4-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine
SMILESCn1cc(-c2cncc(N3CCN(CC(F)(F)F)CC3)n2)cn1
InChIInChI=1S/C14H17F3N6/c1-21-9-11(6-19-21)12-7-18-8-13(20-12)23-4-2-22(3-5-23)10-14(15,16)17/h6-9H,2-5,10H2,1H3
InChIKeyWGAQSPQZNUPJFS-UHFFFAOYSA-N
XLogP1.56
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine (CID 163352603) is 2-(1-methylpyrazol-4-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine is Cn1cc(-c2cncc(N3CCN(CC(F)(F)F)CC3)n2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine?
The InChIKey is WGAQSPQZNUPJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6/c1-21-9-11(6-19-21)12-7-18-8-13(20-12)23-4-2-22(3-5-23)10-14(15,16)17/h6-9H,2-5,10H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine?
2-(1-methylpyrazol-4-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine has a molecular weight of 326.33 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 163352603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).