2-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]pyrazine

C18H19FN6 — CID 49229922

IUPAC2-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]pyrazine
SMILESFc1cccc(-n2ccc(CN3CCN(c4cnccn4)CC3)n2)c1
InChIInChI=1S/C18H19FN6/c19-15-2-1-3-17(12-15)25-7-4-16(22-25)14-23-8-10-24(11-9-23)18-13-20-5-6-21-18/h1-7,12-13H,8-11,14H2
InChIKeyDDJRWGFUTBAKFX-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.12
Rot. Bonds4

About 2-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]pyrazine

2-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]pyrazine (PubChem CID 49229922) has the molecular formula C18H19FN6 and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]pyrazine
PubChem CID49229922
Molecular FormulaC18H19FN6
Molecular Weight338.39 g/mol
Exact Mass338.17
IUPAC Name2-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]pyrazine
SMILESFc1cccc(-n2ccc(CN3CCN(c4cnccn4)CC3)n2)c1
InChIInChI=1S/C18H19FN6/c19-15-2-1-3-17(12-15)25-7-4-16(22-25)14-23-8-10-24(11-9-23)18-13-20-5-6-21-18/h1-7,12-13H,8-11,14H2
InChIKeyDDJRWGFUTBAKFX-UHFFFAOYSA-N
XLogP2.12
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]pyrazine (CID 49229922) is 2-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]pyrazine is Fc1cccc(-n2ccc(CN3CCN(c4cnccn4)CC3)n2)c1.
What is the InChIKey of 2-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]pyrazine?
The InChIKey is DDJRWGFUTBAKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6/c19-15-2-1-3-17(12-15)25-7-4-16(22-25)14-23-8-10-24(11-9-23)18-13-20-5-6-21-18/h1-7,12-13H,8-11,14H2.
What are the key properties of 2-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]pyrazine?
2-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]pyrazine has a molecular weight of 338.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(3-fluorophenyl)pyrazol-3-yl]methyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 49229922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).