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

C21H26N6 — CID 59322064

IUPAC2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methylphenyl)pyrazine
SMILESCc1ccc(-c2nccnc2N2CCN(Cc3cnn(C)c3C)CC2)cc1
InChIInChI=1S/C21H26N6/c1-16-4-6-18(7-5-16)20-21(23-9-8-22-20)27-12-10-26(11-13-27)15-19-14-24-25(3)17(19)2/h4-9,14H,10-13,15H2,1-3H3
InChIKeyWXHYKWPZQWMGMU-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.82
Rot. Bonds4

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

2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methylphenyl)pyrazine (PubChem CID 59322064) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methylphenyl)pyrazine.

Molecular Properties

Compound Name2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methylphenyl)pyrazine
PubChem CID59322064
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methylphenyl)pyrazine
SMILESCc1ccc(-c2nccnc2N2CCN(Cc3cnn(C)c3C)CC2)cc1
InChIInChI=1S/C21H26N6/c1-16-4-6-18(7-5-16)20-21(23-9-8-22-20)27-12-10-26(11-13-27)15-19-14-24-25(3)17(19)2/h4-9,14H,10-13,15H2,1-3H3
InChIKeyWXHYKWPZQWMGMU-UHFFFAOYSA-N
XLogP2.82
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-methylphenyl)pyrazine?
The IUPAC name of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methylphenyl)pyrazine (CID 59322064) is 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methylphenyl)pyrazine.
What is the SMILES notation for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methylphenyl)pyrazine?
The canonical SMILES for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methylphenyl)pyrazine is Cc1ccc(-c2nccnc2N2CCN(Cc3cnn(C)c3C)CC2)cc1.
What is the InChIKey of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methylphenyl)pyrazine?
The InChIKey is WXHYKWPZQWMGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-16-4-6-18(7-5-16)20-21(23-9-8-22-20)27-12-10-26(11-13-27)15-19-14-24-25(3)17(19)2/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-methylphenyl)pyrazine?
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methylphenyl)pyrazine has a molecular weight of 362.48 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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-methylphenyl)pyrazine is sourced from PubChem (CID 59322064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).