3-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine

C18H28N6 — CID 133470376

IUPAC3-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)n1
InChIInChI=1S/C18H28N6/c1-14-10-19-15(2)17(21-14)23-8-6-22(7-9-23)12-16-11-20-24(13-16)18(3,4)5/h10-11,13H,6-9,12H2,1-5H3
InChIKeyHYOGAJSRWAHYKJ-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.37
Rot. Bonds3

About 3-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine

3-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine (PubChem CID 133470376) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine
PubChem CID133470376
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name3-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)n1
InChIInChI=1S/C18H28N6/c1-14-10-19-15(2)17(21-14)23-8-6-22(7-9-23)12-16-11-20-24(13-16)18(3,4)5/h10-11,13H,6-9,12H2,1-5H3
InChIKeyHYOGAJSRWAHYKJ-UHFFFAOYSA-N
XLogP2.37
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine?
The IUPAC name of 3-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine (CID 133470376) is 3-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine.
What is the SMILES notation for 3-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine?
The canonical SMILES for 3-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine is Cc1cnc(C)c(N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)n1.
What is the InChIKey of 3-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine?
The InChIKey is HYOGAJSRWAHYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-14-10-19-15(2)17(21-14)23-8-6-22(7-9-23)12-16-11-20-24(13-16)18(3,4)5/h10-11,13H,6-9,12H2,1-5H3.
What are the key properties of 3-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine?
3-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine has a molecular weight of 328.46 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1-tert-butylpyrazol-4-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrazine is sourced from PubChem (CID 133470376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).