ethyl 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetate

C10H15FN2O3 — CID 116799929

IUPACethyl 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetate
SMILESCCOC(=O)C(F)Oc1cnn(C(C)C)c1
InChIInChI=1S/C10H15FN2O3/c1-4-15-10(14)9(11)16-8-5-12-13(6-8)7(2)3/h5-7,9H,4H2,1-3H3
InChIKeyPXYOQPVHTBZPHH-UHFFFAOYSA-N
MW230.24 g/mol
LogP1.70
Rot. Bonds5

About ethyl 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetate

ethyl 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetate (PubChem CID 116799929) has the molecular formula C10H15FN2O3 and a molecular weight of 230.24 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetate
PubChem CID116799929
Molecular FormulaC10H15FN2O3
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Nameethyl 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetate
SMILESCCOC(=O)C(F)Oc1cnn(C(C)C)c1
InChIInChI=1S/C10H15FN2O3/c1-4-15-10(14)9(11)16-8-5-12-13(6-8)7(2)3/h5-7,9H,4H2,1-3H3
InChIKeyPXYOQPVHTBZPHH-UHFFFAOYSA-N
XLogP1.70
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetate?
The IUPAC name of ethyl 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetate (CID 116799929) is ethyl 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetate.
What is the SMILES notation for ethyl 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetate?
The canonical SMILES for ethyl 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetate is CCOC(=O)C(F)Oc1cnn(C(C)C)c1.
What is the InChIKey of ethyl 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetate?
The InChIKey is PXYOQPVHTBZPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3/c1-4-15-10(14)9(11)16-8-5-12-13(6-8)7(2)3/h5-7,9H,4H2,1-3H3.
What are the key properties of ethyl 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetate?
ethyl 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetate has a molecular weight of 230.24 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyacetate is sourced from PubChem (CID 116799929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).