ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate

C12H19N3O3 — CID 66120233

IUPACethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(CC)nn1CC
InChIInChI=1S/C12H19N3O3/c1-4-9-7-10(15(5-2)14-9)12(17)13-8-11(16)18-6-3/h7H,4-6,8H2,1-3H3,(H,13,17)
InChIKeyLOZSLXNIOSEFPT-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.76
Rot. Bonds6

About ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate

ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate (PubChem CID 66120233) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate
PubChem CID66120233
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(CC)nn1CC
InChIInChI=1S/C12H19N3O3/c1-4-9-7-10(15(5-2)14-9)12(17)13-8-11(16)18-6-3/h7H,4-6,8H2,1-3H3,(H,13,17)
InChIKeyLOZSLXNIOSEFPT-UHFFFAOYSA-N
XLogP0.76
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide
CID 66121592
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120033
1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide
CID 106249765
1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide
CID 82721370
N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121415
N-(5-aminopentyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120386
1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide
CID 102914495
methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
CID 66120627
1,3-diethyl-N-(2-hydroxy-4,4-dimethylpentyl)pyrazole-5-carboxamide
CID 107155249
N-(4-amino-2-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
CID 66122010
N-[(4-bromocyclohexyl)methyl]-1,3-diethylpyrazole-5-carboxamide
CID 106134795

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate (CID 66120233) is ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1cc(CC)nn1CC.
What is the InChIKey of ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate?
The InChIKey is LOZSLXNIOSEFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-9-7-10(15(5-2)14-9)12(17)13-8-11(16)18-6-3/h7H,4-6,8H2,1-3H3,(H,13,17).
What are the key properties of ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate?
ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate has a molecular weight of 253.30 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate is sourced from PubChem (CID 66120233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).