ethyl 4-[2-(1,5-dimethylpyrazole-4-carbonyl)oxyacetyl]piperazine-1-carboxylate

C15H22N4O5 — CID 30178904

IUPACethyl 4-[2-(1,5-dimethylpyrazole-4-carbonyl)oxyacetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COC(=O)c2cnn(C)c2C)CC1
InChIInChI=1S/C15H22N4O5/c1-4-23-15(22)19-7-5-18(6-8-19)13(20)10-24-14(21)12-9-16-17(3)11(12)2/h9H,4-8,10H2,1-3H3
InChIKeyVZYAKQDDXVHFGZ-UHFFFAOYSA-N
MW338.36 g/mol
LogP0.19
Rot. Bonds4

About ethyl 4-[2-(1,5-dimethylpyrazole-4-carbonyl)oxyacetyl]piperazine-1-carboxylate

ethyl 4-[2-(1,5-dimethylpyrazole-4-carbonyl)oxyacetyl]piperazine-1-carboxylate (PubChem CID 30178904) has the molecular formula C15H22N4O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 4-[2-(1,5-dimethylpyrazole-4-carbonyl)oxyacetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(1,5-dimethylpyrazole-4-carbonyl)oxyacetyl]piperazine-1-carboxylate
PubChem CID30178904
Molecular FormulaC15H22N4O5
Molecular Weight338.36 g/mol
Exact Mass338.16
IUPAC Nameethyl 4-[2-(1,5-dimethylpyrazole-4-carbonyl)oxyacetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)COC(=O)c2cnn(C)c2C)CC1
InChIInChI=1S/C15H22N4O5/c1-4-23-15(22)19-7-5-18(6-8-19)13(20)10-24-14(21)12-9-16-17(3)11(12)2/h9H,4-8,10H2,1-3H3
InChIKeyVZYAKQDDXVHFGZ-UHFFFAOYSA-N
XLogP0.19
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[2-(1,5-dimethylpyrazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 55495300
[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 1,5-dimethylpyrazole-4-carboxylate
CID 16603831
ethyl 4-[2-(2-hydroxy-3-methylbenzoyl)oxyacetyl]piperazine-1-carboxylate
CID 7840448
ethyl 4-[2-(4-hydroxybenzoyl)oxyacetyl]piperazine-1-carboxylate
CID 7777030
[2-(4-ethylphenyl)-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate
CID 55495555
bis[(1R)-1-(4-ethoxycarbonyl-1-methylpyrazol-5-yl)oxyethyl] piperazine-1,4-dicarboxylate
CID 68992538
ethyl 4-[2-(2-amino-4-fluorobenzoyl)oxyacetyl]piperazine-1-carboxylate
CID 27997902
ethyl 4-[2-[4-(hydroxymethyl)benzoyl]oxyacetyl]piperazine-1-carboxylate
CID 7871826
ethyl 4-[2-(2,4-dimethoxybenzoyl)oxyacetyl]piperazine-1-carboxylate
CID 7726293
ethyl 4-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]oxyacetyl]piperazine-1-carboxylate
CID 41399314
[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888926
[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate
CID 46693238

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(1,5-dimethylpyrazole-4-carbonyl)oxyacetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(1,5-dimethylpyrazole-4-carbonyl)oxyacetyl]piperazine-1-carboxylate (CID 30178904) is ethyl 4-[2-(1,5-dimethylpyrazole-4-carbonyl)oxyacetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(1,5-dimethylpyrazole-4-carbonyl)oxyacetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(1,5-dimethylpyrazole-4-carbonyl)oxyacetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)COC(=O)c2cnn(C)c2C)CC1.
What is the InChIKey of ethyl 4-[2-(1,5-dimethylpyrazole-4-carbonyl)oxyacetyl]piperazine-1-carboxylate?
The InChIKey is VZYAKQDDXVHFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5/c1-4-23-15(22)19-7-5-18(6-8-19)13(20)10-24-14(21)12-9-16-17(3)11(12)2/h9H,4-8,10H2,1-3H3.
What are the key properties of ethyl 4-[2-(1,5-dimethylpyrazole-4-carbonyl)oxyacetyl]piperazine-1-carboxylate?
ethyl 4-[2-(1,5-dimethylpyrazole-4-carbonyl)oxyacetyl]piperazine-1-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(1,5-dimethylpyrazole-4-carbonyl)oxyacetyl]piperazine-1-carboxylate is sourced from PubChem (CID 30178904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).