ethyl 2-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate

C19H20FN3O3 — CID 75085760

IUPACethyl 2-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CC(c2ccc(F)cc2)NN1
InChIInChI=1S/C19H20FN3O3/c1-2-26-19(25)14-5-3-4-6-15(14)21-18(24)17-11-16(22-23-17)12-7-9-13(20)10-8-12/h3-10,16-17,22-23H,2,11H2,1H3,(H,21,24)
InChIKeyVMJJLOAPDLFNKC-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.55
Rot. Bonds5

About ethyl 2-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate

ethyl 2-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate (PubChem CID 75085760) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is ethyl 2-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate
PubChem CID75085760
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Nameethyl 2-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CC(c2ccc(F)cc2)NN1
InChIInChI=1S/C19H20FN3O3/c1-2-26-19(25)14-5-3-4-6-15(14)21-18(24)17-11-16(22-23-17)12-7-9-13(20)10-8-12/h3-10,16-17,22-23H,2,11H2,1H3,(H,21,24)
InChIKeyVMJJLOAPDLFNKC-UHFFFAOYSA-N
XLogP2.55
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate (CID 75085760) is ethyl 2-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C1CC(c2ccc(F)cc2)NN1.
What is the InChIKey of ethyl 2-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate?
The InChIKey is VMJJLOAPDLFNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-2-26-19(25)14-5-3-4-6-15(14)21-18(24)17-11-16(22-23-17)12-7-9-13(20)10-8-12/h3-10,16-17,22-23H,2,11H2,1H3,(H,21,24).
What are the key properties of ethyl 2-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate?
ethyl 2-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate has a molecular weight of 357.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 75085760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).