ethyl 2-[ethyl-(1-methyl-4-nitropyrazol-3-yl)amino]acetate

C10H16N4O4 — CID 103080497

IUPACethyl 2-[ethyl-(1-methyl-4-nitropyrazol-3-yl)amino]acetate
SMILESCCOC(=O)CN(CC)c1nn(C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O4/c1-4-13(7-9(15)18-5-2)10-8(14(16)17)6-12(3)11-10/h6H,4-5,7H2,1-3H3
InChIKeyMOBICUSPLGSVHJ-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.72
Rot. Bonds6

About ethyl 2-[ethyl-(1-methyl-4-nitropyrazol-3-yl)amino]acetate

ethyl 2-[ethyl-(1-methyl-4-nitropyrazol-3-yl)amino]acetate (PubChem CID 103080497) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is ethyl 2-[ethyl-(1-methyl-4-nitropyrazol-3-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(1-methyl-4-nitropyrazol-3-yl)amino]acetate
PubChem CID103080497
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Nameethyl 2-[ethyl-(1-methyl-4-nitropyrazol-3-yl)amino]acetate
SMILESCCOC(=O)CN(CC)c1nn(C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O4/c1-4-13(7-9(15)18-5-2)10-8(14(16)17)6-12(3)11-10/h6H,4-5,7H2,1-3H3
InChIKeyMOBICUSPLGSVHJ-UHFFFAOYSA-N
XLogP0.72
TPSA90.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 115554038
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ethyl 2-(4-bromo-N-ethyl-2-nitroanilino)acetate
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ethyl 2-(N-ethyl-4-fluoro-2-nitroanilino)acetate
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ethyl 2-[(3-cyano-5-nitro-2-pyridinyl)-ethylamino]acetate
CID 62099895
ethyl 2-(N-ethyl-3-methyl-5-nitroanilino)acetate
CID 112649677
ethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate
CID 62006831
ethyl 2-[(5-methyl-4-nitro-2-pyridinyl)-propylamino]acetate
CID 83271526
ethyl 2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetate
CID 66280292
2-methyl-3-[methyl-(1-methyl-4-nitropyrazol-3-yl)amino]propanoic acid
CID 103079285
ethyl 2-(4-methyl-2-nitro-N-propylanilino)acetate
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CID 62007213

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(1-methyl-4-nitropyrazol-3-yl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(1-methyl-4-nitropyrazol-3-yl)amino]acetate (CID 103080497) is ethyl 2-[ethyl-(1-methyl-4-nitropyrazol-3-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(1-methyl-4-nitropyrazol-3-yl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(1-methyl-4-nitropyrazol-3-yl)amino]acetate is CCOC(=O)CN(CC)c1nn(C)cc1[N+](=O)[O-].
What is the InChIKey of ethyl 2-[ethyl-(1-methyl-4-nitropyrazol-3-yl)amino]acetate?
The InChIKey is MOBICUSPLGSVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-4-13(7-9(15)18-5-2)10-8(14(16)17)6-12(3)11-10/h6H,4-5,7H2,1-3H3.
What are the key properties of ethyl 2-[ethyl-(1-methyl-4-nitropyrazol-3-yl)amino]acetate?
ethyl 2-[ethyl-(1-methyl-4-nitropyrazol-3-yl)amino]acetate has a molecular weight of 256.26 g/mol, XLogP of 0.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-(1-methyl-4-nitropyrazol-3-yl)amino]acetate is sourced from PubChem (CID 103080497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).