5-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-3-carboxamide

C17H17ClFN3O — CID 73221474

IUPAC5-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CC(c2ccc(Cl)cc2)NN1
InChIInChI=1S/C17H17ClFN3O/c18-13-5-3-12(4-6-13)15-9-16(22-21-15)17(23)20-10-11-1-7-14(19)8-2-11/h1-8,15-16,21-22H,9-10H2,(H,20,23)
InChIKeyVSYAUPZREPRMSR-UHFFFAOYSA-N
MW333.79 g/mol
LogP2.70
Rot. Bonds4

About 5-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-3-carboxamide

5-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-3-carboxamide (PubChem CID 73221474) has the molecular formula C17H17ClFN3O and a molecular weight of 333.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-3-carboxamide
PubChem CID73221474
Molecular FormulaC17H17ClFN3O
Molecular Weight333.79 g/mol
Exact Mass333.10
IUPAC Name5-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CC(c2ccc(Cl)cc2)NN1
InChIInChI=1S/C17H17ClFN3O/c18-13-5-3-12(4-6-13)15-9-16(22-21-15)17(23)20-10-11-1-7-14(19)8-2-11/h1-8,15-16,21-22H,9-10H2,(H,20,23)
InChIKeyVSYAUPZREPRMSR-UHFFFAOYSA-N
XLogP2.70
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-3-carboxamide (CID 73221474) is 5-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-3-carboxamide is O=C(NCc1ccc(F)cc1)C1CC(c2ccc(Cl)cc2)NN1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-3-carboxamide?
The InChIKey is VSYAUPZREPRMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O/c18-13-5-3-12(4-6-13)15-9-16(22-21-15)17(23)20-10-11-1-7-14(19)8-2-11/h1-8,15-16,21-22H,9-10H2,(H,20,23).
What are the key properties of 5-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-3-carboxamide?
5-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-3-carboxamide has a molecular weight of 333.79 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 73221474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).