ethyl 5-(3-fluorophenyl)pyrazolidine-3-carboxylate

C12H15FN2O2 — CID 74849722

IUPACethyl 5-(3-fluorophenyl)pyrazolidine-3-carboxylate
SMILESCCOC(=O)C1CC(c2cccc(F)c2)NN1
InChIInChI=1S/C12H15FN2O2/c1-2-17-12(16)11-7-10(14-15-11)8-4-3-5-9(13)6-8/h3-6,10-11,14-15H,2,7H2,1H3
InChIKeyDOWWPYUSIOYMEL-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.30
Rot. Bonds3

About ethyl 5-(3-fluorophenyl)pyrazolidine-3-carboxylate

ethyl 5-(3-fluorophenyl)pyrazolidine-3-carboxylate (PubChem CID 74849722) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is ethyl 5-(3-fluorophenyl)pyrazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-fluorophenyl)pyrazolidine-3-carboxylate
PubChem CID74849722
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Nameethyl 5-(3-fluorophenyl)pyrazolidine-3-carboxylate
SMILESCCOC(=O)C1CC(c2cccc(F)c2)NN1
InChIInChI=1S/C12H15FN2O2/c1-2-17-12(16)11-7-10(14-15-11)8-4-3-5-9(13)6-8/h3-6,10-11,14-15H,2,7H2,1H3
InChIKeyDOWWPYUSIOYMEL-UHFFFAOYSA-N
XLogP1.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-fluorophenyl)pyrazolidine-3-carboxylate?
The IUPAC name of ethyl 5-(3-fluorophenyl)pyrazolidine-3-carboxylate (CID 74849722) is ethyl 5-(3-fluorophenyl)pyrazolidine-3-carboxylate.
What is the SMILES notation for ethyl 5-(3-fluorophenyl)pyrazolidine-3-carboxylate?
The canonical SMILES for ethyl 5-(3-fluorophenyl)pyrazolidine-3-carboxylate is CCOC(=O)C1CC(c2cccc(F)c2)NN1.
What is the InChIKey of ethyl 5-(3-fluorophenyl)pyrazolidine-3-carboxylate?
The InChIKey is DOWWPYUSIOYMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-2-17-12(16)11-7-10(14-15-11)8-4-3-5-9(13)6-8/h3-6,10-11,14-15H,2,7H2,1H3.
What are the key properties of ethyl 5-(3-fluorophenyl)pyrazolidine-3-carboxylate?
ethyl 5-(3-fluorophenyl)pyrazolidine-3-carboxylate has a molecular weight of 238.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-fluorophenyl)pyrazolidine-3-carboxylate is sourced from PubChem (CID 74849722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).