2-(3-chloro-4-fluorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine

C19H20ClFN6 — CID 68595084

IUPAC2-(3-chloro-4-fluorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine
SMILESCC(c1cn[nH]c1)N1CCN(c2nccnc2-c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C19H20ClFN6/c1-13(15-11-24-25-12-15)26-6-8-27(9-7-26)19-18(22-4-5-23-19)14-2-3-17(21)16(20)10-14/h2-5,10-13H,6-9H2,1H3,(H,24,25)
InChIKeyZBSBFDZBOWTVOP-UHFFFAOYSA-N
MW386.86 g/mol
LogP3.54
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine

2-(3-chloro-4-fluorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine (PubChem CID 68595084) has the molecular formula C19H20ClFN6 and a molecular weight of 386.86 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine
PubChem CID68595084
Molecular FormulaC19H20ClFN6
Molecular Weight386.86 g/mol
Exact Mass386.14
IUPAC Name2-(3-chloro-4-fluorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine
SMILESCC(c1cn[nH]c1)N1CCN(c2nccnc2-c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C19H20ClFN6/c1-13(15-11-24-25-12-15)26-6-8-27(9-7-26)19-18(22-4-5-23-19)14-2-3-17(21)16(20)10-14/h2-5,10-13H,6-9H2,1H3,(H,24,25)
InChIKeyZBSBFDZBOWTVOP-UHFFFAOYSA-N
XLogP3.54
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine (CID 68595084) is 2-(3-chloro-4-fluorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine is CC(c1cn[nH]c1)N1CCN(c2nccnc2-c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine?
The InChIKey is ZBSBFDZBOWTVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN6/c1-13(15-11-24-25-12-15)26-6-8-27(9-7-26)19-18(22-4-5-23-19)14-2-3-17(21)16(20)10-14/h2-5,10-13H,6-9H2,1H3,(H,24,25).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine?
2-(3-chloro-4-fluorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine has a molecular weight of 386.86 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 68595084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).