(1-tert-butyl-5-ethylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C18H26N6O — CID 56817103

IUPAC(1-tert-butyl-5-ethylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCCc1c(C(=O)N2CCN(c3cnccn3)CC2)cnn1C(C)(C)C
InChIInChI=1S/C18H26N6O/c1-5-15-14(12-21-24(15)18(2,3)4)17(25)23-10-8-22(9-11-23)16-13-19-6-7-20-16/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyDYZFWEKMRZKEMR-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.95
Rot. Bonds3

About (1-tert-butyl-5-ethylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

(1-tert-butyl-5-ethylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 56817103) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is (1-tert-butyl-5-ethylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-tert-butyl-5-ethylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID56817103
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name(1-tert-butyl-5-ethylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCCc1c(C(=O)N2CCN(c3cnccn3)CC2)cnn1C(C)(C)C
InChIInChI=1S/C18H26N6O/c1-5-15-14(12-21-24(15)18(2,3)4)17(25)23-10-8-22(9-11-23)16-13-19-6-7-20-16/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyDYZFWEKMRZKEMR-UHFFFAOYSA-N
XLogP1.95
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-5-ethylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-tert-butyl-5-ethylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 56817103) is (1-tert-butyl-5-ethylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-tert-butyl-5-ethylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-tert-butyl-5-ethylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is CCc1c(C(=O)N2CCN(c3cnccn3)CC2)cnn1C(C)(C)C.
What is the InChIKey of (1-tert-butyl-5-ethylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is DYZFWEKMRZKEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-5-15-14(12-21-24(15)18(2,3)4)17(25)23-10-8-22(9-11-23)16-13-19-6-7-20-16/h6-7,12-13H,5,8-11H2,1-4H3.
What are the key properties of (1-tert-butyl-5-ethylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
(1-tert-butyl-5-ethylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 342.45 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-5-ethylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 56817103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).