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

C17H18FN3O — CID 52975656

IUPACN-[(4-fluorophenyl)methyl]-5-phenylpyrazolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CC(c2ccccc2)NN1
InChIInChI=1S/C17H18FN3O/c18-14-8-6-12(7-9-14)11-19-17(22)16-10-15(20-21-16)13-4-2-1-3-5-13/h1-9,15-16,20-21H,10-11H2,(H,19,22)
InChIKeyAWIQZFVLUXESPL-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.05
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-5-phenylpyrazolidine-3-carboxamide (PubChem CID 52975656) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-phenylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-phenylpyrazolidine-3-carboxamide
PubChem CID52975656
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC NameN-[(4-fluorophenyl)methyl]-5-phenylpyrazolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CC(c2ccccc2)NN1
InChIInChI=1S/C17H18FN3O/c18-14-8-6-12(7-9-14)11-19-17(22)16-10-15(20-21-16)13-4-2-1-3-5-13/h1-9,15-16,20-21H,10-11H2,(H,19,22)
InChIKeyAWIQZFVLUXESPL-UHFFFAOYSA-N
XLogP2.05
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-phenylpyrazolidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-phenylpyrazolidine-3-carboxamide (CID 52975656) is N-[(4-fluorophenyl)methyl]-5-phenylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-phenylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-phenylpyrazolidine-3-carboxamide is O=C(NCc1ccc(F)cc1)C1CC(c2ccccc2)NN1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-phenylpyrazolidine-3-carboxamide?
The InChIKey is AWIQZFVLUXESPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-14-8-6-12(7-9-14)11-19-17(22)16-10-15(20-21-16)13-4-2-1-3-5-13/h1-9,15-16,20-21H,10-11H2,(H,19,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-phenylpyrazolidine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-5-phenylpyrazolidine-3-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-phenylpyrazolidine-3-carboxamide is sourced from PubChem (CID 52975656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).