2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-ethoxyphenyl)pyrazine

C22H28N6O — CID 59321866

IUPAC2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-ethoxyphenyl)pyrazine
SMILESCCOc1ccc(-c2nccnc2N2CCN(Cc3cnn(C)c3C)CC2)cc1
InChIInChI=1S/C22H28N6O/c1-4-29-20-7-5-18(6-8-20)21-22(24-10-9-23-21)28-13-11-27(12-14-28)16-19-15-25-26(3)17(19)2/h5-10,15H,4,11-14,16H2,1-3H3
InChIKeyFTKWNZIEVCOSIS-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.91
Rot. Bonds6

About 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-ethoxyphenyl)pyrazine

2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-ethoxyphenyl)pyrazine (PubChem CID 59321866) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-ethoxyphenyl)pyrazine.

Molecular Properties

Compound Name2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-ethoxyphenyl)pyrazine
PubChem CID59321866
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-ethoxyphenyl)pyrazine
SMILESCCOc1ccc(-c2nccnc2N2CCN(Cc3cnn(C)c3C)CC2)cc1
InChIInChI=1S/C22H28N6O/c1-4-29-20-7-5-18(6-8-20)21-22(24-10-9-23-21)28-13-11-27(12-14-28)16-19-15-25-26(3)17(19)2/h5-10,15H,4,11-14,16H2,1-3H3
InChIKeyFTKWNZIEVCOSIS-UHFFFAOYSA-N
XLogP2.91
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-ethoxyphenyl)pyrazine?
The IUPAC name of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-ethoxyphenyl)pyrazine (CID 59321866) is 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-ethoxyphenyl)pyrazine.
What is the SMILES notation for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-ethoxyphenyl)pyrazine?
The canonical SMILES for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-ethoxyphenyl)pyrazine is CCOc1ccc(-c2nccnc2N2CCN(Cc3cnn(C)c3C)CC2)cc1.
What is the InChIKey of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-ethoxyphenyl)pyrazine?
The InChIKey is FTKWNZIEVCOSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-4-29-20-7-5-18(6-8-20)21-22(24-10-9-23-21)28-13-11-27(12-14-28)16-19-15-25-26(3)17(19)2/h5-10,15H,4,11-14,16H2,1-3H3.
What are the key properties of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-ethoxyphenyl)pyrazine?
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-ethoxyphenyl)pyrazine has a molecular weight of 392.51 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-ethoxyphenyl)pyrazine is sourced from PubChem (CID 59321866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).