methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)-methylamino]acetate

C11H17N3O3 — CID 62733450

IUPACmethyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)-methylamino]acetate
SMILESCCn1nc(C)cc1C(=O)N(C)CC(=O)OC
InChIInChI=1S/C11H17N3O3/c1-5-14-9(6-8(2)12-14)11(16)13(3)7-10(15)17-4/h6H,5,7H2,1-4H3
InChIKeyXSKUNKWWJKEHIM-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.46
Rot. Bonds4

About methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)-methylamino]acetate

methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)-methylamino]acetate (PubChem CID 62733450) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)-methylamino]acetate
PubChem CID62733450
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namemethyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)-methylamino]acetate
SMILESCCn1nc(C)cc1C(=O)N(C)CC(=O)OC
InChIInChI=1S/C11H17N3O3/c1-5-14-9(6-8(2)12-14)11(16)13(3)7-10(15)17-4/h6H,5,7H2,1-4H3
InChIKeyXSKUNKWWJKEHIM-UHFFFAOYSA-N
XLogP0.46
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-aminopentyl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 107206783
methyl 3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-methylamino]propanoate
CID 61032488
2-ethyl-N,5-dimethyl-N-propan-2-ylsulfonylpyrazole-3-carboxamide
CID 71859611
N-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide
CID 77113193
N-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 66128449
2-ethyl-N-(2-hydroxycyclohexyl)-N,5-dimethylpyrazole-3-carboxamide
CID 102634205
2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide
CID 60619942
methyl 2-[(2-ethyl-5-methylpyrazol-3-yl)amino]acetate
CID 154882023
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate
CID 66122439
N-[3-(dimethylamino)-2-hydroxypropyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 110281351
3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid
CID 66127193
N-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide
CID 66120277

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)-methylamino]acetate (CID 62733450) is methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)-methylamino]acetate is CCn1nc(C)cc1C(=O)N(C)CC(=O)OC.
What is the InChIKey of methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)-methylamino]acetate?
The InChIKey is XSKUNKWWJKEHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-5-14-9(6-8(2)12-14)11(16)13(3)7-10(15)17-4/h6H,5,7H2,1-4H3.
What are the key properties of methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)-methylamino]acetate?
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)-methylamino]acetate has a molecular weight of 239.27 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)-methylamino]acetate is sourced from PubChem (CID 62733450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).