[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate

C12H19N3O4 — CID 55562938

IUPAC[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate
SMILESCOCC(C)NC(=O)COC(=O)c1cnn(C)c1C
InChIInChI=1S/C12H19N3O4/c1-8(6-18-4)14-11(16)7-19-12(17)10-5-13-15(3)9(10)2/h5,8H,6-7H2,1-4H3,(H,14,16)
InChIKeyVHHUNCGDVGURCF-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.04
Rot. Bonds6

About [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate

[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate (PubChem CID 55562938) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate
PubChem CID55562938
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate
SMILESCOCC(C)NC(=O)COC(=O)c1cnn(C)c1C
InChIInChI=1S/C12H19N3O4/c1-8(6-18-4)14-11(16)7-19-12(17)10-5-13-15(3)9(10)2/h5,8H,6-7H2,1-4H3,(H,14,16)
InChIKeyVHHUNCGDVGURCF-UHFFFAOYSA-N
XLogP0.04
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55704928
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18169787
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-amino-2-chlorobenzoate
CID 115936108
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 18169821
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 2-(4-aminopyrazol-1-yl)acetate
CID 61488037
ethyl 4-[2-(1,5-dimethylpyrazole-4-carbonyl)oxyacetyl]piperazine-1-carboxylate
CID 30178904
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 55317836
N-(4-amino-4-sulfanylidenebutan-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 62092793
N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 43419111
[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate
CID 46693238
[2-(4-ethylphenyl)-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate
CID 55495555
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 4-amino-1-propylpyrrole-2-carboxylate
CID 61488139

Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate?
The IUPAC name of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate (CID 55562938) is [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate.
What is the SMILES notation for [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate?
The canonical SMILES for [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate is COCC(C)NC(=O)COC(=O)c1cnn(C)c1C.
What is the InChIKey of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate?
The InChIKey is VHHUNCGDVGURCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-8(6-18-4)14-11(16)7-19-12(17)10-5-13-15(3)9(10)2/h5,8H,6-7H2,1-4H3,(H,14,16).
What are the key properties of [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate?
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate is sourced from PubChem (CID 55562938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).