methyl 2-[(2-methoxy-2-oxoethyl)-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetate

C11H15N3O5 — CID 63997835

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1cn[nH]c1C
InChIInChI=1S/C11H15N3O5/c1-7-8(4-12-13-7)11(17)14(5-9(15)18-2)6-10(16)19-3/h4H,5-6H2,1-3H3,(H,12,13)
InChIKeyCNXQWJGUBIZKQV-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.49
Rot. Bonds5

About methyl 2-[(2-methoxy-2-oxoethyl)-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetate (PubChem CID 63997835) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetate
PubChem CID63997835
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1cn[nH]c1C
InChIInChI=1S/C11H15N3O5/c1-7-8(4-12-13-7)11(17)14(5-9(15)18-2)6-10(16)19-3/h4H,5-6H2,1-3H3,(H,12,13)
InChIKeyCNXQWJGUBIZKQV-UHFFFAOYSA-N
XLogP-0.49
TPSA101.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(5-methyl-1H-pyrazole-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoate
CID 78964050
methyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate
CID 54998225
N-(2-chloroethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 107492227
2-[tert-butyl-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid
CID 79266093
methyl 2-[(3-hydroxypyridine-4-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 81443513
5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 63997221
N-(2-methoxyethoxy)-5-methyl-1H-pyrazole-4-carboxamide
CID 79676894
N-(cyclopentylmethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 62400684
N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 102700145
methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 103958201
N-(cyanomethyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide
CID 62735140
methyl 2-[(2-methoxy-2-oxoethyl)-(6-methylpyridine-3-carbonyl)amino]acetate
CID 62952960

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetate (CID 63997835) is methyl 2-[(2-methoxy-2-oxoethyl)-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)c1cn[nH]c1C.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetate?
The InChIKey is CNXQWJGUBIZKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-7-8(4-12-13-7)11(17)14(5-9(15)18-2)6-10(16)19-3/h4H,5-6H2,1-3H3,(H,12,13).
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetate has a molecular weight of 269.26 g/mol, XLogP of -0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 63997835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).