(3R,4R)-3-methyl-4-[5-(3-phenylphenyl)pyrazolidin-3-yl]pyrrolidine-1-carbonitrile

C21H24N4 — CID 165112448

IUPAC(3R,4R)-3-methyl-4-[5-(3-phenylphenyl)pyrazolidin-3-yl]pyrrolidine-1-carbonitrile
SMILESC[C@H]1CN(C#N)C[C@@H]1C1CC(c2cccc(-c3ccccc3)c2)NN1
InChIInChI=1S/C21H24N4/c1-15-12-25(14-22)13-19(15)21-11-20(23-24-21)18-9-5-8-17(10-18)16-6-3-2-4-7-16/h2-10,15,19-21,23-24H,11-13H2,1H3/t15-,19-,20?,21?/m0/s1
InChIKeyUJTKPMZYPUPWLE-SGRCFUTNSA-N
MW332.45 g/mol
LogP3.31
Rot. Bonds3

About (3R,4R)-3-methyl-4-[5-(3-phenylphenyl)pyrazolidin-3-yl]pyrrolidine-1-carbonitrile

(3R,4R)-3-methyl-4-[5-(3-phenylphenyl)pyrazolidin-3-yl]pyrrolidine-1-carbonitrile (PubChem CID 165112448) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is (3R,4R)-3-methyl-4-[5-(3-phenylphenyl)pyrazolidin-3-yl]pyrrolidine-1-carbonitrile.

Molecular Properties

Compound Name(3R,4R)-3-methyl-4-[5-(3-phenylphenyl)pyrazolidin-3-yl]pyrrolidine-1-carbonitrile
PubChem CID165112448
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name(3R,4R)-3-methyl-4-[5-(3-phenylphenyl)pyrazolidin-3-yl]pyrrolidine-1-carbonitrile
SMILESC[C@H]1CN(C#N)C[C@@H]1C1CC(c2cccc(-c3ccccc3)c2)NN1
InChIInChI=1S/C21H24N4/c1-15-12-25(14-22)13-19(15)21-11-20(23-24-21)18-9-5-8-17(10-18)16-6-3-2-4-7-16/h2-10,15,19-21,23-24H,11-13H2,1H3/t15-,19-,20?,21?/m0/s1
InChIKeyUJTKPMZYPUPWLE-SGRCFUTNSA-N
XLogP3.31
TPSA51.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,4R)-3-methyl-4-[5-(3-phenylphenyl)pyrazolidin-3-yl]pyrrolidine-1-carbonitrile 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 (3R,4R)-3-methyl-4-[5-(3-phenylphenyl)pyrazolidin-3-yl]pyrrolidine-1-carbonitrile?
The IUPAC name of (3R,4R)-3-methyl-4-[5-(3-phenylphenyl)pyrazolidin-3-yl]pyrrolidine-1-carbonitrile (CID 165112448) is (3R,4R)-3-methyl-4-[5-(3-phenylphenyl)pyrazolidin-3-yl]pyrrolidine-1-carbonitrile.
What is the SMILES notation for (3R,4R)-3-methyl-4-[5-(3-phenylphenyl)pyrazolidin-3-yl]pyrrolidine-1-carbonitrile?
The canonical SMILES for (3R,4R)-3-methyl-4-[5-(3-phenylphenyl)pyrazolidin-3-yl]pyrrolidine-1-carbonitrile is C[C@H]1CN(C#N)C[C@@H]1C1CC(c2cccc(-c3ccccc3)c2)NN1.
What is the InChIKey of (3R,4R)-3-methyl-4-[5-(3-phenylphenyl)pyrazolidin-3-yl]pyrrolidine-1-carbonitrile?
The InChIKey is UJTKPMZYPUPWLE-SGRCFUTNSA-N. The full InChI is InChI=1S/C21H24N4/c1-15-12-25(14-22)13-19(15)21-11-20(23-24-21)18-9-5-8-17(10-18)16-6-3-2-4-7-16/h2-10,15,19-21,23-24H,11-13H2,1H3/t15-,19-,20?,21?/m0/s1.
What are the key properties of (3R,4R)-3-methyl-4-[5-(3-phenylphenyl)pyrazolidin-3-yl]pyrrolidine-1-carbonitrile?
(3R,4R)-3-methyl-4-[5-(3-phenylphenyl)pyrazolidin-3-yl]pyrrolidine-1-carbonitrile has a molecular weight of 332.45 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methyl-4-[5-(3-phenylphenyl)pyrazolidin-3-yl]pyrrolidine-1-carbonitrile is sourced from PubChem (CID 165112448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).