N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide

C18H19F2N3O2 — CID 75254832

IUPACN-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
SMILESCCOc1ccc(C2CC(C(=O)Nc3ccc(F)c(F)c3)NN2)cc1
InChIInChI=1S/C18H19F2N3O2/c1-2-25-13-6-3-11(4-7-13)16-10-17(23-22-16)18(24)21-12-5-8-14(19)15(20)9-12/h3-9,16-17,22-23H,2,10H2,1H3,(H,21,24)
InChIKeyPKEAVYJDJVENOC-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.91
Rot. Bonds5

About N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide

N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide (PubChem CID 75254832) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
PubChem CID75254832
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC NameN-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
SMILESCCOc1ccc(C2CC(C(=O)Nc3ccc(F)c(F)c3)NN2)cc1
InChIInChI=1S/C18H19F2N3O2/c1-2-25-13-6-3-11(4-7-13)16-10-17(23-22-16)18(24)21-12-5-8-14(19)15(20)9-12/h3-9,16-17,22-23H,2,10H2,1H3,(H,21,24)
InChIKeyPKEAVYJDJVENOC-UHFFFAOYSA-N
XLogP2.91
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide
CID 75234301
ethyl 3-[[5-(4-ethoxyphenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 75234280
5-(4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)pyrazolidine-3-carboxamide
CID 75234244
5-(4-ethoxyphenyl)-N-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234255
ethyl 4-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 75085762
N-(2,3-dichlorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75254833
N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75255208
N-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75234443
N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide
CID 75085710
N-(3,4-difluorophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613478
N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975398
5-(2-chlorophenyl)-N-(3,4-difluorophenyl)pyrazolidine-3-carboxamide
CID 75254781

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide (CID 75254832) is N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide is CCOc1ccc(C2CC(C(=O)Nc3ccc(F)c(F)c3)NN2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide?
The InChIKey is PKEAVYJDJVENOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-2-25-13-6-3-11(4-7-13)16-10-17(23-22-16)18(24)21-12-5-8-14(19)15(20)9-12/h3-9,16-17,22-23H,2,10H2,1H3,(H,21,24).
What are the key properties of N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide?
N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75254832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).