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

C12H20N4O — CID 65418529

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone
SMILESCc1cc(C)n(CC(=O)N2CCNC(C)C2)n1
InChIInChI=1S/C12H20N4O/c1-9-6-11(3)16(14-9)8-12(17)15-5-4-13-10(2)7-15/h6,10,13H,4-5,7-8H2,1-3H3
InChIKeyYQGQVTNEHYYIOT-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.32
Rot. Bonds2

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

2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone (PubChem CID 65418529) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone
PubChem CID65418529
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone
SMILESCc1cc(C)n(CC(=O)N2CCNC(C)C2)n1
InChIInChI=1S/C12H20N4O/c1-9-6-11(3)16(14-9)8-12(17)15-5-4-13-10(2)7-15/h6,10,13H,4-5,7-8H2,1-3H3
InChIKeyYQGQVTNEHYYIOT-UHFFFAOYSA-N
XLogP0.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.32
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-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 66121470
1-[(3S)-3-(azepane-1-carbonyl)pyrrolidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 92633517
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534087
(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94486409
1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-methylpyrrolidine-3-carboxamide
CID 110246529
(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N,N,1-trimethylpiperazine-2-carboxamide
CID 124948870
1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 114398270
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone
CID 124961259
2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124984897
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone;dihydrochloride
CID 119592882
1-[(3S)-3-methylpiperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 125134639

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone (CID 65418529) is 2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone is Cc1cc(C)n(CC(=O)N2CCNC(C)C2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone?
The InChIKey is YQGQVTNEHYYIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-6-11(3)16(14-9)8-12(17)15-5-4-13-10(2)7-15/h6,10,13H,4-5,7-8H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone has a molecular weight of 236.32 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 65418529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).