ethyl 1-[2-(4-fluorophenyl)ethyl]-3-pyridin-2-ylpyrazole-5-carboxylate

C19H18FN3O2 — CID 53491662

IUPACethyl 1-[2-(4-fluorophenyl)ethyl]-3-pyridin-2-ylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccn2)nn1CCc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2/c1-2-25-19(24)18-13-17(16-5-3-4-11-21-16)22-23(18)12-10-14-6-8-15(20)9-7-14/h3-9,11,13H,2,10,12H2,1H3
InChIKeyOBRLZJRYPHRIAA-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.50
Rot. Bonds6

About ethyl 1-[2-(4-fluorophenyl)ethyl]-3-pyridin-2-ylpyrazole-5-carboxylate

ethyl 1-[2-(4-fluorophenyl)ethyl]-3-pyridin-2-ylpyrazole-5-carboxylate (PubChem CID 53491662) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is ethyl 1-[2-(4-fluorophenyl)ethyl]-3-pyridin-2-ylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-fluorophenyl)ethyl]-3-pyridin-2-ylpyrazole-5-carboxylate
PubChem CID53491662
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Nameethyl 1-[2-(4-fluorophenyl)ethyl]-3-pyridin-2-ylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccn2)nn1CCc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2/c1-2-25-19(24)18-13-17(16-5-3-4-11-21-16)22-23(18)12-10-14-6-8-15(20)9-7-14/h3-9,11,13H,2,10,12H2,1H3
InChIKeyOBRLZJRYPHRIAA-UHFFFAOYSA-N
XLogP3.50
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-fluorophenyl)ethyl]-3-pyridin-2-ylpyrazole-5-carboxylate?
The IUPAC name of ethyl 1-[2-(4-fluorophenyl)ethyl]-3-pyridin-2-ylpyrazole-5-carboxylate (CID 53491662) is ethyl 1-[2-(4-fluorophenyl)ethyl]-3-pyridin-2-ylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-fluorophenyl)ethyl]-3-pyridin-2-ylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-fluorophenyl)ethyl]-3-pyridin-2-ylpyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ccccn2)nn1CCc1ccc(F)cc1.
What is the InChIKey of ethyl 1-[2-(4-fluorophenyl)ethyl]-3-pyridin-2-ylpyrazole-5-carboxylate?
The InChIKey is OBRLZJRYPHRIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-2-25-19(24)18-13-17(16-5-3-4-11-21-16)22-23(18)12-10-14-6-8-15(20)9-7-14/h3-9,11,13H,2,10,12H2,1H3.
What are the key properties of ethyl 1-[2-(4-fluorophenyl)ethyl]-3-pyridin-2-ylpyrazole-5-carboxylate?
ethyl 1-[2-(4-fluorophenyl)ethyl]-3-pyridin-2-ylpyrazole-5-carboxylate has a molecular weight of 339.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-fluorophenyl)ethyl]-3-pyridin-2-ylpyrazole-5-carboxylate is sourced from PubChem (CID 53491662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).