ethyl 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate

C12H19N3O3 — CID 55003284

IUPACethyl 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C12H19N3O3/c1-6-18-10(16)7-14(4)12(17)11-8(2)13-15(5)9(11)3/h6-7H2,1-5H3
InChIKeyXDYALPMIIANCHN-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.67
Rot. Bonds4

About ethyl 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate

ethyl 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate (PubChem CID 55003284) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate
PubChem CID55003284
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameethyl 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C12H19N3O3/c1-6-18-10(16)7-14(4)12(17)11-8(2)13-15(5)9(11)3/h6-7H2,1-5H3
InChIKeyXDYALPMIIANCHN-UHFFFAOYSA-N
XLogP0.67
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate
CID 61021700
ethyl (3S)-3-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoate
CID 124872087
N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956
N-(5-aminopentyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 107206591
4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid
CID 43151815
N-(2-chloro-3-methoxypropyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 63398323
ethyl 2-[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetate
CID 62011215
N-(4-aminobutan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 63225554
N-(2-chloroethyl)-N-ethyl-1,3,5-trimethylpyrazole-4-carboxamide
CID 63395629
N,1,3,5-tetramethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-4-carboxamide
CID 77089309
methyl 2-[(4-amino-1,3-dimethylpyrazole-5-carbonyl)-methylamino]acetate
CID 66121833
3-[propan-2-yl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 54926881

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate (CID 55003284) is ethyl 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate is CCOC(=O)CN(C)C(=O)c1c(C)nn(C)c1C.
What is the InChIKey of ethyl 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate?
The InChIKey is XDYALPMIIANCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-6-18-10(16)7-14(4)12(17)11-8(2)13-15(5)9(11)3/h6-7H2,1-5H3.
What are the key properties of ethyl 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate?
ethyl 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate has a molecular weight of 253.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 55003284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).