ethyl 4-oxo-4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]butanoate

C15H24N4O3 — CID 52907328

IUPACethyl 4-oxo-4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]butanoate
SMILESCCOC(=O)CCC(=O)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C15H24N4O3/c1-2-22-15(21)5-4-14(20)18-11-8-17(9-12-18)10-13-19-7-3-6-16-19/h3,6-7H,2,4-5,8-13H2,1H3
InChIKeyLOMNOIBHFNOWLX-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.37
Rot. Bonds7

About ethyl 4-oxo-4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]butanoate

ethyl 4-oxo-4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]butanoate (PubChem CID 52907328) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethyl 4-oxo-4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]butanoate
PubChem CID52907328
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Nameethyl 4-oxo-4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]butanoate
SMILESCCOC(=O)CCC(=O)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C15H24N4O3/c1-2-22-15(21)5-4-14(20)18-11-8-17(9-12-18)10-13-19-7-3-6-16-19/h3,6-7H,2,4-5,8-13H2,1H3
InChIKeyLOMNOIBHFNOWLX-UHFFFAOYSA-N
XLogP0.37
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 1H-pyrazole-1-butanoate
CID 3066547
Tert-butyl 4-(3-pyrazol-1-ylpropanoyl)piperazine-1-carboxylate
CID 56810681
1-(4-Propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 71934218
1-[4-(2-Pyrazol-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 71934220
ethyl 4-[2-(1H-pyrazol-1-yl)butanoyl]-1-piperazinecarboxylate
CID 72939762
1-(4-(2-(1H-pyrazol-1-yl)ethyl)piperazin-1-yl)ethanone
CID 52331542
ethyl 4-(2-(1H-pyrazol-1-yl)ethyl)piperazine-1-carboxylate
CID 52331543
ethyl 4-(4-((1H-pyrazol-1-yl)methyl)piperidin-1-yl)-4-oxobutanoate
CID 52906692
1-(2-oxo-2-{4-[2-(1H-pyrazol-1-yl)ethyl]piperazin-1-yl}ethyl)pyrrolidine-2,5-dione
CID 52907360
(3S)-3-ethyl-4-[4-(1H-pyrazol-1-yl)butanoyl]morpholine
CID 70756061
1-[2-(1H-pyrazol-1-yl)butanoyl]-4-(tetrahydro-2H-pyran-4-yl)piperazine
CID 72842133
2-(4-isopropylmorpholin-2-yl)-N-methyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
CID 74243039

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]butanoate?
The IUPAC name of ethyl 4-oxo-4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]butanoate (CID 52907328) is ethyl 4-oxo-4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]butanoate.
What is the SMILES notation for ethyl 4-oxo-4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]butanoate?
The canonical SMILES for ethyl 4-oxo-4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]butanoate is CCOC(=O)CCC(=O)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of ethyl 4-oxo-4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]butanoate?
The InChIKey is LOMNOIBHFNOWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-2-22-15(21)5-4-14(20)18-11-8-17(9-12-18)10-13-19-7-3-6-16-19/h3,6-7H,2,4-5,8-13H2,1H3.
What are the key properties of ethyl 4-oxo-4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]butanoate?
ethyl 4-oxo-4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]butanoate has a molecular weight of 308.38 g/mol, XLogP of 0.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]butanoate is sourced from PubChem (CID 52907328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).