1-(2,5-diethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone

C15H26N4O — CID 64978366

IUPAC1-(2,5-diethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCCC1CN(C(=O)Cn2nc(C)cc2C)C(CC)CN1
InChIInChI=1S/C15H26N4O/c1-5-13-9-18(14(6-2)8-16-13)15(20)10-19-12(4)7-11(3)17-19/h7,13-14,16H,5-6,8-10H2,1-4H3
InChIKeySQPGJPLARBVMRX-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.49
Rot. Bonds4

About 1-(2,5-diethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone

1-(2,5-diethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone (PubChem CID 64978366) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2,5-diethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-diethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
PubChem CID64978366
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-(2,5-diethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCCC1CN(C(=O)Cn2nc(C)cc2C)C(CC)CN1
InChIInChI=1S/C15H26N4O/c1-5-13-9-18(14(6-2)8-16-13)15(20)10-19-12(4)7-11(3)17-19/h7,13-14,16H,5-6,8-10H2,1-4H3
InChIKeySQPGJPLARBVMRX-UHFFFAOYSA-N
XLogP1.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 63863889
2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone
CID 65418529
1-(2,5-diethylpiperazin-1-yl)-2-thiophen-3-ylethanone
CID 64978280
(2,5-diethylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone
CID 64978507
1-(2,5-diethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 64978172
cyclopent-3-en-1-yl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978451
(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 78922396
1-(2,5-diethylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 64978524
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 124983690
methyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
CID 79833334
N-(azetidin-3-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 66185586
ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
CID 75925786

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone?
The IUPAC name of 1-(2,5-diethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone (CID 64978366) is 1-(2,5-diethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-(2,5-diethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-(2,5-diethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone is CCC1CN(C(=O)Cn2nc(C)cc2C)C(CC)CN1.
What is the InChIKey of 1-(2,5-diethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone?
The InChIKey is SQPGJPLARBVMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-13-9-18(14(6-2)8-16-13)15(20)10-19-12(4)7-11(3)17-19/h7,13-14,16H,5-6,8-10H2,1-4H3.
What are the key properties of 1-(2,5-diethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone?
1-(2,5-diethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone has a molecular weight of 278.40 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone is sourced from PubChem (CID 64978366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).