1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone

C12H18N4O2 — CID 78861980

IUPAC1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCCc1cc(C(=O)N2CCN(C(C)=O)CC2)n[nH]1
InChIInChI=1S/C12H18N4O2/c1-3-10-8-11(14-13-10)12(18)16-6-4-15(5-7-16)9(2)17/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyWGFSMYFCFPFIEG-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.28
Rot. Bonds2

About 1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone

1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 78861980) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID78861980
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESCCc1cc(C(=O)N2CCN(C(C)=O)CC2)n[nH]1
InChIInChI=1S/C12H18N4O2/c1-3-10-8-11(14-13-10)12(18)16-6-4-15(5-7-16)9(2)17/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyWGFSMYFCFPFIEG-UHFFFAOYSA-N
XLogP0.28
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 78873940
2-[4-(5-ethyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78870643
(4-ethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 53017422
5-ethyl-1H-pyrazole-3-carboxylic acid
CID 4913402
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 120805659
(3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 119381090
(4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20910824
(3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119173853
(5-ethyl-1H-pyrazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492861
1-(5-ethyl-1H-pyrazole-3-carbonyl)-N-pentylpiperidine-4-carboxamide
CID 78875827
(5-ethyl-1H-pyrazol-3-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 136579737
(2,3-dimethylpiperazin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 120572020

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone (CID 78861980) is 1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone is CCc1cc(C(=O)N2CCN(C(C)=O)CC2)n[nH]1.
What is the InChIKey of 1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is WGFSMYFCFPFIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-10-8-11(14-13-10)12(18)16-6-4-15(5-7-16)9(2)17/h8H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone?
1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 250.30 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 78861980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).