5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide

C19H20F3N3O3 — CID 75234301

IUPAC5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide
SMILESCCOc1ccc(C2CC(C(=O)Nc3cccc(OC(F)(F)F)c3)NN2)cc1
InChIInChI=1S/C19H20F3N3O3/c1-2-27-14-8-6-12(7-9-14)16-11-17(25-24-16)18(26)23-13-4-3-5-15(10-13)28-19(20,21)22/h3-10,16-17,24-25H,2,11H2,1H3,(H,23,26)
InChIKeyUFGPXSWSTOFJQE-UHFFFAOYSA-N
MW395.38 g/mol
LogP3.53
Rot. Bonds6

About 5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide

5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide (PubChem CID 75234301) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide
PubChem CID75234301
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide
SMILESCCOc1ccc(C2CC(C(=O)Nc3cccc(OC(F)(F)F)c3)NN2)cc1
InChIInChI=1S/C19H20F3N3O3/c1-2-27-14-8-6-12(7-9-14)16-11-17(25-24-16)18(26)23-13-4-3-5-15(10-13)28-19(20,21)22/h3-10,16-17,24-25H,2,11H2,1H3,(H,23,26)
InChIKeyUFGPXSWSTOFJQE-UHFFFAOYSA-N
XLogP3.53
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[[5-(4-ethoxyphenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 75234280
N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75254832
5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide
CID 75975436
5-(4-ethoxyphenyl)-N-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234255
5-(4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)pyrazolidine-3-carboxamide
CID 75234244
N-(2,3-dichlorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75254833
5-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75196976
N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234345
4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 43120856
4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
CID 114422692
ethyl 4-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 75085762
N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75255208

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide (CID 75234301) is 5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide is CCOc1ccc(C2CC(C(=O)Nc3cccc(OC(F)(F)F)c3)NN2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide?
The InChIKey is UFGPXSWSTOFJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-2-27-14-8-6-12(7-9-14)16-11-17(25-24-16)18(26)23-13-4-3-5-15(10-13)28-19(20,21)22/h3-10,16-17,24-25H,2,11H2,1H3,(H,23,26).
What are the key properties of 5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide?
5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide has a molecular weight of 395.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 75234301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).