5-(3-chlorophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide

C17H14Cl2F3N3O — CID 75254921

IUPAC5-(3-chlorophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CC(c2cccc(Cl)c2)NN1
InChIInChI=1S/C17H14Cl2F3N3O/c18-10-3-1-2-9(6-10)14-8-15(25-24-14)16(26)23-13-5-4-11(19)7-12(13)17(20,21)22/h1-7,14-15,24-25H,8H2,(H,23,26)
InChIKeyNRBGTEMMOQTSND-UHFFFAOYSA-N
MW404.22 g/mol
LogP4.56
Rot. Bonds3

About 5-(3-chlorophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide

5-(3-chlorophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide (PubChem CID 75254921) has the molecular formula C17H14Cl2F3N3O and a molecular weight of 404.22 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
PubChem CID75254921
Molecular FormulaC17H14Cl2F3N3O
Molecular Weight404.22 g/mol
Exact Mass403.05
IUPAC Name5-(3-chlorophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CC(c2cccc(Cl)c2)NN1
InChIInChI=1S/C17H14Cl2F3N3O/c18-10-3-1-2-9(6-10)14-8-15(25-24-14)16(26)23-13-5-4-11(19)7-12(13)17(20,21)22/h1-7,14-15,24-25H,8H2,(H,23,26)
InChIKeyNRBGTEMMOQTSND-UHFFFAOYSA-N
XLogP4.56
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.22
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
CID 75085786
5-(3-chlorophenyl)-N-(3-fluoro-2-methylphenyl)pyrazolidine-3-carboxamide
CID 75254935
5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
CID 75254901
N,5-bis(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254883
5-(3-chlorophenyl)-N-(5-fluoro-2-methylphenyl)pyrazolidine-3-carboxamide
CID 74623810
N-(2-benzoylphenyl)-5-(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254865
N-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide
CID 122363085
5-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
CID 75254792
5-(3-chlorophenyl)-N-[(4-propan-2-ylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75255220
dimethyl 5-[[5-(3-chlorophenyl)pyrazolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 75254878
5-(3-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazolidine-3-carboxamide
CID 52989249
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 110682207

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide (CID 75254921) is 5-(3-chlorophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CC(c2cccc(Cl)c2)NN1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide?
The InChIKey is NRBGTEMMOQTSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F3N3O/c18-10-3-1-2-9(6-10)14-8-15(25-24-14)16(26)23-13-5-4-11(19)7-12(13)17(20,21)22/h1-7,14-15,24-25H,8H2,(H,23,26).
What are the key properties of 5-(3-chlorophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide?
5-(3-chlorophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide has a molecular weight of 404.22 g/mol, XLogP of 4.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 75254921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).