N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide

C16H20FN5O — CID 162677879

IUPACN-[(1-cyanopyrrolidin-3-yl)methyl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide
SMILESN#CN1CCC(CNC(=O)C2CC(c3ccccc3F)NN2)C1
InChIInChI=1S/C16H20FN5O/c17-13-4-2-1-3-12(13)14-7-15(21-20-14)16(23)19-8-11-5-6-22(9-11)10-18/h1-4,11,14-15,20-21H,5-9H2,(H,19,23)
InChIKeyAZFYZVNGZFAQOB-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.65
Rot. Bonds4

About N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide

N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide (PubChem CID 162677879) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-cyanopyrrolidin-3-yl)methyl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide
PubChem CID162677879
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC NameN-[(1-cyanopyrrolidin-3-yl)methyl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide
SMILESN#CN1CCC(CNC(=O)C2CC(c3ccccc3F)NN2)C1
InChIInChI=1S/C16H20FN5O/c17-13-4-2-1-3-12(13)14-7-15(21-20-14)16(23)19-8-11-5-6-22(9-11)10-18/h1-4,11,14-15,20-21H,5-9H2,(H,19,23)
InChIKeyAZFYZVNGZFAQOB-UHFFFAOYSA-N
XLogP0.65
TPSA80.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide (CID 162677879) is N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide is N#CN1CCC(CNC(=O)C2CC(c3ccccc3F)NN2)C1.
What is the InChIKey of N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide?
The InChIKey is AZFYZVNGZFAQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c17-13-4-2-1-3-12(13)14-7-15(21-20-14)16(23)19-8-11-5-6-22(9-11)10-18/h1-4,11,14-15,20-21H,5-9H2,(H,19,23).
What are the key properties of N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide?
N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyanopyrrolidin-3-yl)methyl]-5-(2-fluorophenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 162677879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).