3-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolidine-4-carboxamide

C18H20FN3O — CID 52975541

IUPAC3-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolidine-4-carboxamide
SMILESCC(NC(=O)C1CNNC1c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H20FN3O/c1-12(13-5-3-2-4-6-13)21-18(23)16-11-20-22-17(16)14-7-9-15(19)10-8-14/h2-10,12,16-17,20,22H,11H2,1H3,(H,21,23)
InChIKeyOGTDSDMQJCRVHT-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.47
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolidine-4-carboxamide

3-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolidine-4-carboxamide (PubChem CID 52975541) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolidine-4-carboxamide
PubChem CID52975541
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name3-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolidine-4-carboxamide
SMILESCC(NC(=O)C1CNNC1c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H20FN3O/c1-12(13-5-3-2-4-6-13)21-18(23)16-11-20-22-17(16)14-7-9-15(19)10-8-14/h2-10,12,16-17,20,22H,11H2,1H3,(H,21,23)
InChIKeyOGTDSDMQJCRVHT-UHFFFAOYSA-N
XLogP2.47
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolidine-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolidine-4-carboxamide (CID 52975541) is 3-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolidine-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolidine-4-carboxamide is CC(NC(=O)C1CNNC1c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolidine-4-carboxamide?
The InChIKey is OGTDSDMQJCRVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-12(13-5-3-2-4-6-13)21-18(23)16-11-20-22-17(16)14-7-9-15(19)10-8-14/h2-10,12,16-17,20,22H,11H2,1H3,(H,21,23).
What are the key properties of 3-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolidine-4-carboxamide?
3-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolidine-4-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 52975541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).