5-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)pyrazolidine-3-carboxamide

C17H17ClFN3O — CID 75254818

IUPAC5-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)pyrazolidine-3-carboxamide
SMILESCc1ccc(F)c(NC(=O)C2CC(c3ccccc3Cl)NN2)c1
InChIInChI=1S/C17H17ClFN3O/c1-10-6-7-13(19)15(8-10)20-17(23)16-9-14(21-22-16)11-4-2-3-5-12(11)18/h2-8,14,16,21-22H,9H2,1H3,(H,20,23)
InChIKeyYPLYLXPRSPEAIJ-UHFFFAOYSA-N
MW333.79 g/mol
LogP3.33
Rot. Bonds3

About 5-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)pyrazolidine-3-carboxamide

5-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)pyrazolidine-3-carboxamide (PubChem CID 75254818) has the molecular formula C17H17ClFN3O and a molecular weight of 333.79 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)pyrazolidine-3-carboxamide
PubChem CID75254818
Molecular FormulaC17H17ClFN3O
Molecular Weight333.79 g/mol
Exact Mass333.10
IUPAC Name5-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)pyrazolidine-3-carboxamide
SMILESCc1ccc(F)c(NC(=O)C2CC(c3ccccc3Cl)NN2)c1
InChIInChI=1S/C17H17ClFN3O/c1-10-6-7-13(19)15(8-10)20-17(23)16-9-14(21-22-16)11-4-2-3-5-12(11)18/h2-8,14,16,21-22H,9H2,1H3,(H,20,23)
InChIKeyYPLYLXPRSPEAIJ-UHFFFAOYSA-N
XLogP3.33
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)pyrazolidine-3-carboxamide (CID 75254818) is 5-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)pyrazolidine-3-carboxamide is Cc1ccc(F)c(NC(=O)C2CC(c3ccccc3Cl)NN2)c1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)pyrazolidine-3-carboxamide?
The InChIKey is YPLYLXPRSPEAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O/c1-10-6-7-13(19)15(8-10)20-17(23)16-9-14(21-22-16)11-4-2-3-5-12(11)18/h2-8,14,16,21-22H,9H2,1H3,(H,20,23).
What are the key properties of 5-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)pyrazolidine-3-carboxamide?
5-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)pyrazolidine-3-carboxamide has a molecular weight of 333.79 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(2-fluoro-5-methylphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75254818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).