[2-oxo-2-[4-[2-(1H-pyrazole-5-carbonyloxy)acetyl]piperazin-1-yl]ethyl] 1H-pyrazole-5-carboxylate

C16H18N6O6 — CID 55646655

IUPAC[2-oxo-2-[4-[2-(1H-pyrazole-5-carbonyloxy)acetyl]piperazin-1-yl]ethyl] 1H-pyrazole-5-carboxylate
SMILESO=C(OCC(=O)N1CCN(C(=O)COC(=O)c2ccn[nH]2)CC1)c1ccn[nH]1
InChIInChI=1S/C16H18N6O6/c23-13(9-27-15(25)11-1-3-17-19-11)21-5-7-22(8-6-21)14(24)10-28-16(26)12-2-4-18-20-12/h1-4H,5-10H2,(H,17,19)(H,18,20)
InChIKeyOEAMRUXGMMVVFZ-UHFFFAOYSA-N
MW390.36 g/mol
LogP-1.18
Rot. Bonds6

About [2-oxo-2-[4-[2-(1H-pyrazole-5-carbonyloxy)acetyl]piperazin-1-yl]ethyl] 1H-pyrazole-5-carboxylate

[2-oxo-2-[4-[2-(1H-pyrazole-5-carbonyloxy)acetyl]piperazin-1-yl]ethyl] 1H-pyrazole-5-carboxylate (PubChem CID 55646655) has the molecular formula C16H18N6O6 and a molecular weight of 390.36 g/mol. Its IUPAC name is [2-oxo-2-[4-[2-(1H-pyrazole-5-carbonyloxy)acetyl]piperazin-1-yl]ethyl] 1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[4-[2-(1H-pyrazole-5-carbonyloxy)acetyl]piperazin-1-yl]ethyl] 1H-pyrazole-5-carboxylate
PubChem CID55646655
Molecular FormulaC16H18N6O6
Molecular Weight390.36 g/mol
Exact Mass390.13
IUPAC Name[2-oxo-2-[4-[2-(1H-pyrazole-5-carbonyloxy)acetyl]piperazin-1-yl]ethyl] 1H-pyrazole-5-carboxylate
SMILESO=C(OCC(=O)N1CCN(C(=O)COC(=O)c2ccn[nH]2)CC1)c1ccn[nH]1
InChIInChI=1S/C16H18N6O6/c23-13(9-27-15(25)11-1-3-17-19-11)21-5-7-22(8-6-21)14(24)10-28-16(26)12-2-4-18-20-12/h1-4H,5-10H2,(H,17,19)(H,18,20)
InChIKeyOEAMRUXGMMVVFZ-UHFFFAOYSA-N
XLogP-1.18
TPSA150.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-oxo-2-[4-[2-(1H-pyrazole-5-carbonyloxy)acetyl]piperazin-1-yl]ethyl] 1H-pyrazole-5-carboxylate with MolForge

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Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] 1H-pyrazole-5-carboxylate
CID 46428902
(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 60779006
[2-[4-[2-(5-methylthiophene-2-carbonyl)oxyacetyl]piperazin-1-yl]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2502753
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 1H-pyrazole-5-carboxylate
CID 46428827
[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate
CID 23802850
[2-(azepan-1-yl)-2-oxoethyl] 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
CID 71942758
(2-oxo-2-pyrrolidin-1-ylethyl) 4-fluorobenzoate
CID 2371316
1H-pyrazole-5-carboxylic acid;zinc
CID 158581218
[2-(4-methylpiperazin-1-yl)-2-oxoethyl] benzoate
CID 14033043
1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 84579292
piperidin-1-amine;1H-pyrazole-5-carboxylic acid
CID 172745685
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9386251

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-[2-(1H-pyrazole-5-carbonyloxy)acetyl]piperazin-1-yl]ethyl] 1H-pyrazole-5-carboxylate?
The IUPAC name of [2-oxo-2-[4-[2-(1H-pyrazole-5-carbonyloxy)acetyl]piperazin-1-yl]ethyl] 1H-pyrazole-5-carboxylate (CID 55646655) is [2-oxo-2-[4-[2-(1H-pyrazole-5-carbonyloxy)acetyl]piperazin-1-yl]ethyl] 1H-pyrazole-5-carboxylate.
What is the SMILES notation for [2-oxo-2-[4-[2-(1H-pyrazole-5-carbonyloxy)acetyl]piperazin-1-yl]ethyl] 1H-pyrazole-5-carboxylate?
The canonical SMILES for [2-oxo-2-[4-[2-(1H-pyrazole-5-carbonyloxy)acetyl]piperazin-1-yl]ethyl] 1H-pyrazole-5-carboxylate is O=C(OCC(=O)N1CCN(C(=O)COC(=O)c2ccn[nH]2)CC1)c1ccn[nH]1.
What is the InChIKey of [2-oxo-2-[4-[2-(1H-pyrazole-5-carbonyloxy)acetyl]piperazin-1-yl]ethyl] 1H-pyrazole-5-carboxylate?
The InChIKey is OEAMRUXGMMVVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O6/c23-13(9-27-15(25)11-1-3-17-19-11)21-5-7-22(8-6-21)14(24)10-28-16(26)12-2-4-18-20-12/h1-4H,5-10H2,(H,17,19)(H,18,20).
What are the key properties of [2-oxo-2-[4-[2-(1H-pyrazole-5-carbonyloxy)acetyl]piperazin-1-yl]ethyl] 1H-pyrazole-5-carboxylate?
[2-oxo-2-[4-[2-(1H-pyrazole-5-carbonyloxy)acetyl]piperazin-1-yl]ethyl] 1H-pyrazole-5-carboxylate has a molecular weight of 390.36 g/mol, XLogP of -1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-[2-(1H-pyrazole-5-carbonyloxy)acetyl]piperazin-1-yl]ethyl] 1H-pyrazole-5-carboxylate is sourced from PubChem (CID 55646655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).