4-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)piperazin-2-one

C15H26N4O2 — CID 86785252

IUPAC4-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)piperazin-2-one
SMILESCOCCN1CCN(Cc2cn[nH]c2C(C)(C)C)CC1=O
InChIInChI=1S/C15H26N4O2/c1-15(2,3)14-12(9-16-17-14)10-18-5-6-19(7-8-21-4)13(20)11-18/h9H,5-8,10-11H2,1-4H3,(H,16,17)
InChIKeyAEYDCLBMEVZVKF-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.00
Rot. Bonds5

About 4-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)piperazin-2-one

4-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)piperazin-2-one (PubChem CID 86785252) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)piperazin-2-one
PubChem CID86785252
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name4-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)piperazin-2-one
SMILESCOCCN1CCN(Cc2cn[nH]c2C(C)(C)C)CC1=O
InChIInChI=1S/C15H26N4O2/c1-15(2,3)14-12(9-16-17-14)10-18-5-6-19(7-8-21-4)13(20)11-18/h9H,5-8,10-11H2,1-4H3,(H,16,17)
InChIKeyAEYDCLBMEVZVKF-UHFFFAOYSA-N
XLogP1.00
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)piperazin-2-one?
The IUPAC name of 4-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)piperazin-2-one (CID 86785252) is 4-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)piperazin-2-one.
What is the SMILES notation for 4-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)piperazin-2-one?
The canonical SMILES for 4-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)piperazin-2-one is COCCN1CCN(Cc2cn[nH]c2C(C)(C)C)CC1=O.
What is the InChIKey of 4-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)piperazin-2-one?
The InChIKey is AEYDCLBMEVZVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-15(2,3)14-12(9-16-17-14)10-18-5-6-19(7-8-21-4)13(20)11-18/h9H,5-8,10-11H2,1-4H3,(H,16,17).
What are the key properties of 4-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)piperazin-2-one?
4-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)piperazin-2-one has a molecular weight of 294.40 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)piperazin-2-one is sourced from PubChem (CID 86785252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).