1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone

C12H18N4O2 — CID 110685852

IUPAC1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(C)nn2C)CC1
InChIInChI=1S/C12H18N4O2/c1-9-8-11(14(3)13-9)12(18)16-6-4-15(5-7-16)10(2)17/h8H,4-7H2,1-3H3
InChIKeyVPYSIEYJBGTATC-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.03
Rot. Bonds1

About 1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone

1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110685852) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID110685852
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(C)nn2C)CC1
InChIInChI=1S/C12H18N4O2/c1-9-8-11(14(3)13-9)12(18)16-6-4-15(5-7-16)10(2)17/h8H,4-7H2,1-3H3
InChIKeyVPYSIEYJBGTATC-UHFFFAOYSA-N
XLogP0.03
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119402592
[4-(2-aminoethyl)piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 66129011
(2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 66126872
2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]acetonitrile
CID 66128615
(3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 56725204
(2,5-dimethylpyrazol-3-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 66127135
2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-methylpropanenitrile
CID 66128825
[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 70768505
(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 59382180
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 78904621
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 91945394
4-(2,5-dimethylpyrazole-3-carbonyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 51089036

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone (CID 110685852) is 1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc(C)nn2C)CC1.
What is the InChIKey of 1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is VPYSIEYJBGTATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-8-11(14(3)13-9)12(18)16-6-4-15(5-7-16)10(2)17/h8H,4-7H2,1-3H3.
What are the key properties of 1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone?
1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 250.30 g/mol, XLogP of 0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110685852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).