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

C19H21ClN6 — CID 68595531

IUPAC2-(4-chlorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine
SMILESCC(c1cn[nH]c1)N1CCN(c2nccnc2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN6/c1-14(16-12-23-24-13-16)25-8-10-26(11-9-25)19-18(21-6-7-22-19)15-2-4-17(20)5-3-15/h2-7,12-14H,8-11H2,1H3,(H,23,24)
InChIKeyQVFVKQNNHNIOKC-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.40
Rot. Bonds4

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

2-(4-chlorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine (PubChem CID 68595531) has the molecular formula C19H21ClN6 and a molecular weight of 368.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine
PubChem CID68595531
Molecular FormulaC19H21ClN6
Molecular Weight368.87 g/mol
Exact Mass368.15
IUPAC Name2-(4-chlorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine
SMILESCC(c1cn[nH]c1)N1CCN(c2nccnc2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN6/c1-14(16-12-23-24-13-16)25-8-10-26(11-9-25)19-18(21-6-7-22-19)15-2-4-17(20)5-3-15/h2-7,12-14H,8-11H2,1H3,(H,23,24)
InChIKeyQVFVKQNNHNIOKC-UHFFFAOYSA-N
XLogP3.40
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-(4-chlorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine (CID 68595531) is 2-(4-chlorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-(4-chlorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine is CC(c1cn[nH]c1)N1CCN(c2nccnc2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine?
The InChIKey is QVFVKQNNHNIOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6/c1-14(16-12-23-24-13-16)25-8-10-26(11-9-25)19-18(21-6-7-22-19)15-2-4-17(20)5-3-15/h2-7,12-14H,8-11H2,1H3,(H,23,24).
What are the key properties of 2-(4-chlorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine?
2-(4-chlorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine has a molecular weight of 368.87 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 68595531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).