ethyl 1-ethyl-3-(4-fluorophenyl)pyrazole-5-carboxylate

C14H15FN2O2 — CID 91872792

IUPACethyl 1-ethyl-3-(4-fluorophenyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2)nn1CC
InChIInChI=1S/C14H15FN2O2/c1-3-17-13(14(18)19-4-2)9-12(16-17)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3
InChIKeyUHEUOAFHHCLSMK-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.89
Rot. Bonds4

About ethyl 1-ethyl-3-(4-fluorophenyl)pyrazole-5-carboxylate

ethyl 1-ethyl-3-(4-fluorophenyl)pyrazole-5-carboxylate (PubChem CID 91872792) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is ethyl 1-ethyl-3-(4-fluorophenyl)pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-3-(4-fluorophenyl)pyrazole-5-carboxylate
PubChem CID91872792
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Nameethyl 1-ethyl-3-(4-fluorophenyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2)nn1CC
InChIInChI=1S/C14H15FN2O2/c1-3-17-13(14(18)19-4-2)9-12(16-17)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3
InChIKeyUHEUOAFHHCLSMK-UHFFFAOYSA-N
XLogP2.89
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-3-(4-fluorophenyl)pyrazole-5-carboxylate?
The IUPAC name of ethyl 1-ethyl-3-(4-fluorophenyl)pyrazole-5-carboxylate (CID 91872792) is ethyl 1-ethyl-3-(4-fluorophenyl)pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-3-(4-fluorophenyl)pyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-ethyl-3-(4-fluorophenyl)pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ccc(F)cc2)nn1CC.
What is the InChIKey of ethyl 1-ethyl-3-(4-fluorophenyl)pyrazole-5-carboxylate?
The InChIKey is UHEUOAFHHCLSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-3-17-13(14(18)19-4-2)9-12(16-17)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3.
What are the key properties of ethyl 1-ethyl-3-(4-fluorophenyl)pyrazole-5-carboxylate?
ethyl 1-ethyl-3-(4-fluorophenyl)pyrazole-5-carboxylate has a molecular weight of 262.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-3-(4-fluorophenyl)pyrazole-5-carboxylate is sourced from PubChem (CID 91872792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).