ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetate

C11H17FN2O2 — CID 81297757

IUPACethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)n1nc(C)c(CC)c1C
InChIInChI=1S/C11H17FN2O2/c1-5-9-7(3)13-14(8(9)4)10(12)11(15)16-6-2/h10H,5-6H2,1-4H3
InChIKeyCUJUXQFQRNECFH-UHFFFAOYSA-N
MW228.27 g/mol
LogP2.09
Rot. Bonds4

About ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetate

ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetate (PubChem CID 81297757) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetate
PubChem CID81297757
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Nameethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)n1nc(C)c(CC)c1C
InChIInChI=1S/C11H17FN2O2/c1-5-9-7(3)13-14(8(9)4)10(12)11(15)16-6-2/h10H,5-6H2,1-4H3
InChIKeyCUJUXQFQRNECFH-UHFFFAOYSA-N
XLogP2.09
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetate?
The IUPAC name of ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetate (CID 81297757) is ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetate is CCOC(=O)C(F)n1nc(C)c(CC)c1C.
What is the InChIKey of ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetate?
The InChIKey is CUJUXQFQRNECFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2/c1-5-9-7(3)13-14(8(9)4)10(12)11(15)16-6-2/h10H,5-6H2,1-4H3.
What are the key properties of ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetate?
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetate has a molecular weight of 228.27 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-fluoroacetate is sourced from PubChem (CID 81297757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).