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

C21H25N3O4 — CID 75234280

IUPACethyl 3-[[5-(4-ethoxyphenyl)pyrazolidine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C2CC(c3ccc(OCC)cc3)NN2)c1
InChIInChI=1S/C21H25N3O4/c1-3-27-17-10-8-14(9-11-17)18-13-19(24-23-18)20(25)22-16-7-5-6-15(12-16)21(26)28-4-2/h5-12,18-19,23-24H,3-4,13H2,1-2H3,(H,22,25)
InChIKeyUXBZOBQFHGQKMH-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.81
Rot. Bonds7

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

ethyl 3-[[5-(4-ethoxyphenyl)pyrazolidine-3-carbonyl]amino]benzoate (PubChem CID 75234280) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is ethyl 3-[[5-(4-ethoxyphenyl)pyrazolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[5-(4-ethoxyphenyl)pyrazolidine-3-carbonyl]amino]benzoate
PubChem CID75234280
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Nameethyl 3-[[5-(4-ethoxyphenyl)pyrazolidine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C2CC(c3ccc(OCC)cc3)NN2)c1
InChIInChI=1S/C21H25N3O4/c1-3-27-17-10-8-14(9-11-17)18-13-19(24-23-18)20(25)22-16-7-5-6-15(12-16)21(26)28-4-2/h5-12,18-19,23-24H,3-4,13H2,1-2H3,(H,22,25)
InChIKeyUXBZOBQFHGQKMH-UHFFFAOYSA-N
XLogP2.81
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide
CID 75234301
N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75254832
N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234345
ethyl 4-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 75085762
5-(4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)pyrazolidine-3-carboxamide
CID 75234244
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate
CID 836694
N-(2,3-dichlorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75254833
5-(4-ethoxyphenyl)-N-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234255
ethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate
CID 110462157
ethyl 3-[(4-aminocyclopent-2-ene-1-carbonyl)amino]benzoate
CID 79207693
N-(3-carbamoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254869
ethyl 3-acetamidobenzoate
CID 700589

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[5-(4-ethoxyphenyl)pyrazolidine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 3-[[5-(4-ethoxyphenyl)pyrazolidine-3-carbonyl]amino]benzoate (CID 75234280) is ethyl 3-[[5-(4-ethoxyphenyl)pyrazolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[5-(4-ethoxyphenyl)pyrazolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[5-(4-ethoxyphenyl)pyrazolidine-3-carbonyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)C2CC(c3ccc(OCC)cc3)NN2)c1.
What is the InChIKey of ethyl 3-[[5-(4-ethoxyphenyl)pyrazolidine-3-carbonyl]amino]benzoate?
The InChIKey is UXBZOBQFHGQKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-3-27-17-10-8-14(9-11-17)18-13-19(24-23-18)20(25)22-16-7-5-6-15(12-16)21(26)28-4-2/h5-12,18-19,23-24H,3-4,13H2,1-2H3,(H,22,25).
What are the key properties of ethyl 3-[[5-(4-ethoxyphenyl)pyrazolidine-3-carbonyl]amino]benzoate?
ethyl 3-[[5-(4-ethoxyphenyl)pyrazolidine-3-carbonyl]amino]benzoate has a molecular weight of 383.45 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[5-(4-ethoxyphenyl)pyrazolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 75234280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).