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

C19H20FN3O3 — CID 75085762

IUPACethyl 4-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CC(c3ccc(F)cc3)NN2)cc1
InChIInChI=1S/C19H20FN3O3/c1-2-26-19(25)13-5-9-15(10-6-13)21-18(24)17-11-16(22-23-17)12-3-7-14(20)8-4-12/h3-10,16-17,22-23H,2,11H2,1H3,(H,21,24)
InChIKeyRMKNJDAWACCERH-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.55
Rot. Bonds5

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

ethyl 4-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate (PubChem CID 75085762) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is ethyl 4-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate
PubChem CID75085762
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Nameethyl 4-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CC(c3ccc(F)cc3)NN2)cc1
InChIInChI=1S/C19H20FN3O3/c1-2-26-19(25)13-5-9-15(10-6-13)21-18(24)17-11-16(22-23-17)12-3-7-14(20)8-4-12/h3-10,16-17,22-23H,2,11H2,1H3,(H,21,24)
InChIKeyRMKNJDAWACCERH-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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Related Compounds

methyl 4-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 74486868
ethyl 3-[[5-(4-ethoxyphenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 75234280
N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75254832
ethyl 4-[[(5-phenylpyrazolidine-3-carbonyl)amino]sulfamoyl]benzoate
CID 52975206
5-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide
CID 118704700
5-(4-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazolidine-3-carboxamide
CID 75118963
ethyl 4-[(4-fluorophenyl)methylcarbamoylamino]benzoate
CID 108867631
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl 4-(azepane-2-carbonylamino)benzoate
CID 64564434
ethyl 4-[[2-[(4-acetylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143804
N-(3,5-dimethylphenyl)-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605659
N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975398

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate (CID 75085762) is ethyl 4-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2CC(c3ccc(F)cc3)NN2)cc1.
What is the InChIKey of ethyl 4-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate?
The InChIKey is RMKNJDAWACCERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-2-26-19(25)13-5-9-15(10-6-13)21-18(24)17-11-16(22-23-17)12-3-7-14(20)8-4-12/h3-10,16-17,22-23H,2,11H2,1H3,(H,21,24).
What are the key properties of ethyl 4-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate?
ethyl 4-[[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 4-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 75085762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).