ethyl (2Z)-2-hydroxyimino-2-(1,3,5-trimethylpyrazol-4-yl)acetate

C10H15N3O3 — CID 7129392

IUPACethyl (2Z)-2-hydroxyimino-2-(1,3,5-trimethylpyrazol-4-yl)acetate
SMILESCCOC(=O)/C(=N\O)c1c(C)nn(C)c1C
InChIInChI=1S/C10H15N3O3/c1-5-16-10(14)9(12-15)8-6(2)11-13(4)7(8)3/h15H,5H2,1-4H3/b12-9-
InChIKeyXKAXFWNCAMMSEV-XFXZXTDPSA-N
MW225.25 g/mol
LogP0.78
Rot. Bonds3

About ethyl (2Z)-2-hydroxyimino-2-(1,3,5-trimethylpyrazol-4-yl)acetate

ethyl (2Z)-2-hydroxyimino-2-(1,3,5-trimethylpyrazol-4-yl)acetate (PubChem CID 7129392) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl (2Z)-2-hydroxyimino-2-(1,3,5-trimethylpyrazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-hydroxyimino-2-(1,3,5-trimethylpyrazol-4-yl)acetate
PubChem CID7129392
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl (2Z)-2-hydroxyimino-2-(1,3,5-trimethylpyrazol-4-yl)acetate
SMILESCCOC(=O)/C(=N\O)c1c(C)nn(C)c1C
InChIInChI=1S/C10H15N3O3/c1-5-16-10(14)9(12-15)8-6(2)11-13(4)7(8)3/h15H,5H2,1-4H3/b12-9-
InChIKeyXKAXFWNCAMMSEV-XFXZXTDPSA-N
XLogP0.78
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-hydroxyimino-2-(1,3,5-trimethylpyrazol-4-yl)acetate?
The IUPAC name of ethyl (2Z)-2-hydroxyimino-2-(1,3,5-trimethylpyrazol-4-yl)acetate (CID 7129392) is ethyl (2Z)-2-hydroxyimino-2-(1,3,5-trimethylpyrazol-4-yl)acetate.
What is the SMILES notation for ethyl (2Z)-2-hydroxyimino-2-(1,3,5-trimethylpyrazol-4-yl)acetate?
The canonical SMILES for ethyl (2Z)-2-hydroxyimino-2-(1,3,5-trimethylpyrazol-4-yl)acetate is CCOC(=O)/C(=N\O)c1c(C)nn(C)c1C.
What is the InChIKey of ethyl (2Z)-2-hydroxyimino-2-(1,3,5-trimethylpyrazol-4-yl)acetate?
The InChIKey is XKAXFWNCAMMSEV-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-5-16-10(14)9(12-15)8-6(2)11-13(4)7(8)3/h15H,5H2,1-4H3/b12-9-.
What are the key properties of ethyl (2Z)-2-hydroxyimino-2-(1,3,5-trimethylpyrazol-4-yl)acetate?
ethyl (2Z)-2-hydroxyimino-2-(1,3,5-trimethylpyrazol-4-yl)acetate has a molecular weight of 225.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-hydroxyimino-2-(1,3,5-trimethylpyrazol-4-yl)acetate is sourced from PubChem (CID 7129392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).