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

C17H14ClF4N3O — CID 75085786

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CC(c2ccc(F)cc2)NN1
InChIInChI=1S/C17H14ClF4N3O/c18-10-3-6-13(12(7-10)17(20,21)22)23-16(26)15-8-14(24-25-15)9-1-4-11(19)5-2-9/h1-7,14-15,24-25H,8H2,(H,23,26)
InChIKeyZYJKJMZVQDVMMW-UHFFFAOYSA-N
MW387.76 g/mol
LogP4.04
Rot. Bonds3

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

N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide (PubChem CID 75085786) has the molecular formula C17H14ClF4N3O and a molecular weight of 387.76 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
PubChem CID75085786
Molecular FormulaC17H14ClF4N3O
Molecular Weight387.76 g/mol
Exact Mass387.08
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CC(c2ccc(F)cc2)NN1
InChIInChI=1S/C17H14ClF4N3O/c18-10-3-6-13(12(7-10)17(20,21)22)23-16(26)15-8-14(24-25-15)9-1-4-11(19)5-2-9/h1-7,14-15,24-25H,8H2,(H,23,26)
InChIKeyZYJKJMZVQDVMMW-UHFFFAOYSA-N
XLogP4.04
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.76
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chlorophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
CID 75254921
N-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide
CID 122363085
5-(3-chlorophenyl)-N-(5-fluoro-2-methylphenyl)pyrazolidine-3-carboxamide
CID 74623810
5-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
CID 75254792
5-(3-chlorophenyl)-N-(3-fluoro-2-methylphenyl)pyrazolidine-3-carboxamide
CID 75254935
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 110682207
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxomorpholine-3-carboxamide
CID 110696868
5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
CID 75254901
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,5-difluorophenyl)methyl]urea
CID 74224665
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 113008466
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131188

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide (CID 75085786) is N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CC(c2ccc(F)cc2)NN1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide?
The InChIKey is ZYJKJMZVQDVMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF4N3O/c18-10-3-6-13(12(7-10)17(20,21)22)23-16(26)15-8-14(24-25-15)9-1-4-11(19)5-2-9/h1-7,14-15,24-25H,8H2,(H,23,26).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide has a molecular weight of 387.76 g/mol, XLogP of 4.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75085786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).