2-(3,5-diethylpyrazol-1-yl)-1-piperazin-1-ylethanone

C13H22N4O — CID 82694012

IUPAC2-(3,5-diethylpyrazol-1-yl)-1-piperazin-1-ylethanone
SMILESCCc1cc(CC)n(CC(=O)N2CCNCC2)n1
InChIInChI=1S/C13H22N4O/c1-3-11-9-12(4-2)17(15-11)10-13(18)16-7-5-14-6-8-16/h9,14H,3-8,10H2,1-2H3
InChIKeyXCXJFCPQIVSTGB-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.44
Rot. Bonds4

About 2-(3,5-diethylpyrazol-1-yl)-1-piperazin-1-ylethanone

2-(3,5-diethylpyrazol-1-yl)-1-piperazin-1-ylethanone (PubChem CID 82694012) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(3,5-diethylpyrazol-1-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(3,5-diethylpyrazol-1-yl)-1-piperazin-1-ylethanone
PubChem CID82694012
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(3,5-diethylpyrazol-1-yl)-1-piperazin-1-ylethanone
SMILESCCc1cc(CC)n(CC(=O)N2CCNCC2)n1
InChIInChI=1S/C13H22N4O/c1-3-11-9-12(4-2)17(15-11)10-13(18)16-7-5-14-6-8-16/h9,14H,3-8,10H2,1-2H3
InChIKeyXCXJFCPQIVSTGB-UHFFFAOYSA-N
XLogP0.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N,1-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-5-carboxamide
CID 66121900
1-(1,4-diazepan-1-yl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanone
CID 54982396
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-piperazin-1-ylethanone
CID 62129908
(E)-4-(3,5-diethylpyrazol-1-yl)-3-methylbut-2-enoic acid
CID 82692446
2-(3,5-diethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 82698622
N-cyclopropyl-2-(3,5-diethylpyrazol-1-yl)-N-methylacetamide
CID 82700538
2-(benzotriazol-2-yl)-1-piperazin-1-ylethanone
CID 83968777
2-(3,5-diethylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 82698784
N-(2-aminoethyl)-2-(3,5-diethylpyrazol-1-yl)acetamide
CID 82693464
2-(3,5-diethylpyrazol-1-yl)-N-prop-2-ynylacetamide
CID 82694483
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
2-[(4-ethyl-1,3-thiazol-2-yl)amino]-1-piperazin-1-ylethanone
CID 62961566

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-1-piperazin-1-ylethanone (CID 82694012) is 2-(3,5-diethylpyrazol-1-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(3,5-diethylpyrazol-1-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(3,5-diethylpyrazol-1-yl)-1-piperazin-1-ylethanone is CCc1cc(CC)n(CC(=O)N2CCNCC2)n1.
What is the InChIKey of 2-(3,5-diethylpyrazol-1-yl)-1-piperazin-1-ylethanone?
The InChIKey is XCXJFCPQIVSTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-11-9-12(4-2)17(15-11)10-13(18)16-7-5-14-6-8-16/h9,14H,3-8,10H2,1-2H3.
What are the key properties of 2-(3,5-diethylpyrazol-1-yl)-1-piperazin-1-ylethanone?
2-(3,5-diethylpyrazol-1-yl)-1-piperazin-1-ylethanone has a molecular weight of 250.35 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethylpyrazol-1-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 82694012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).