2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine

C21H26N6O — CID 59321903

IUPAC2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine
SMILESCCn1cc(CN2CCN(c3nccnc3-c3ccc(OC)cc3)CC2)cn1
InChIInChI=1S/C21H26N6O/c1-3-27-16-17(14-24-27)15-25-10-12-26(13-11-25)21-20(22-8-9-23-21)18-4-6-19(28-2)7-5-18/h4-9,14,16H,3,10-13,15H2,1-2H3
InChIKeyDFOMHLWMJLFKFU-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.69
Rot. Bonds6

About 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine

2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine (PubChem CID 59321903) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine.

Molecular Properties

Compound Name2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine
PubChem CID59321903
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine
SMILESCCn1cc(CN2CCN(c3nccnc3-c3ccc(OC)cc3)CC2)cn1
InChIInChI=1S/C21H26N6O/c1-3-27-16-17(14-24-27)15-25-10-12-26(13-11-25)21-20(22-8-9-23-21)18-4-6-19(28-2)7-5-18/h4-9,14,16H,3,10-13,15H2,1-2H3
InChIKeyDFOMHLWMJLFKFU-UHFFFAOYSA-N
XLogP2.69
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine?
The IUPAC name of 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine (CID 59321903) is 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine.
What is the SMILES notation for 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine?
The canonical SMILES for 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine is CCn1cc(CN2CCN(c3nccnc3-c3ccc(OC)cc3)CC2)cn1.
What is the InChIKey of 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine?
The InChIKey is DFOMHLWMJLFKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-3-27-16-17(14-24-27)15-25-10-12-26(13-11-25)21-20(22-8-9-23-21)18-4-6-19(28-2)7-5-18/h4-9,14,16H,3,10-13,15H2,1-2H3.
What are the key properties of 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine?
2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine has a molecular weight of 378.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine is sourced from PubChem (CID 59321903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).