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

C21H26N6O — CID 59322079

IUPAC2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine
SMILESCOc1ccc(-c2nccnc2N2CCN(Cc3cnn(C)c3C)CC2)cc1
InChIInChI=1S/C21H26N6O/c1-16-18(14-24-25(16)2)15-26-10-12-27(13-11-26)21-20(22-8-9-23-21)17-4-6-19(28-3)7-5-17/h4-9,14H,10-13,15H2,1-3H3
InChIKeyQTKUGKVUFYOKQK-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.52
Rot. Bonds5

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

2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine (PubChem CID 59322079) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine.

Molecular Properties

Compound Name2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine
PubChem CID59322079
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine
SMILESCOc1ccc(-c2nccnc2N2CCN(Cc3cnn(C)c3C)CC2)cc1
InChIInChI=1S/C21H26N6O/c1-16-18(14-24-25(16)2)15-26-10-12-27(13-11-26)21-20(22-8-9-23-21)17-4-6-19(28-3)7-5-17/h4-9,14H,10-13,15H2,1-3H3
InChIKeyQTKUGKVUFYOKQK-UHFFFAOYSA-N
XLogP2.52
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.52
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-methoxyphenyl)pyrazine?
The IUPAC name of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine (CID 59322079) is 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine.
What is the SMILES notation for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine?
The canonical SMILES for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine is COc1ccc(-c2nccnc2N2CCN(Cc3cnn(C)c3C)CC2)cc1.
What is the InChIKey of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine?
The InChIKey is QTKUGKVUFYOKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-16-18(14-24-25(16)2)15-26-10-12-27(13-11-26)21-20(22-8-9-23-21)17-4-6-19(28-3)7-5-17/h4-9,14H,10-13,15H2,1-3H3.
What are the key properties of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine?
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine has a molecular weight of 378.48 g/mol, XLogP of 2.52, 5 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-methoxyphenyl)pyrazine is sourced from PubChem (CID 59322079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).