N'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine

C21H29ClN4 — CID 74552940

IUPACN'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccccc1)CC1CNNC1c1ccc(Cl)cc1
InChIInChI=1S/C21H29ClN4/c1-25(2)12-13-26(15-17-6-4-3-5-7-17)16-19-14-23-24-21(19)18-8-10-20(22)11-9-18/h3-11,19,21,23-24H,12-16H2,1-2H3
InChIKeyNVJIXVZSGITTNY-UHFFFAOYSA-N
MW372.94 g/mol
LogP3.17
Rot. Bonds8

About N'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine

N'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 74552940) has the molecular formula C21H29ClN4 and a molecular weight of 372.94 g/mol. Its IUPAC name is N'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine
PubChem CID74552940
Molecular FormulaC21H29ClN4
Molecular Weight372.94 g/mol
Exact Mass372.21
IUPAC NameN'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine
SMILESCN(C)CCN(Cc1ccccc1)CC1CNNC1c1ccc(Cl)cc1
InChIInChI=1S/C21H29ClN4/c1-25(2)12-13-26(15-17-6-4-3-5-7-17)16-19-14-23-24-21(19)18-8-10-20(22)11-9-18/h3-11,19,21,23-24H,12-16H2,1-2H3
InChIKeyNVJIXVZSGITTNY-UHFFFAOYSA-N
XLogP3.17
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine 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'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine (CID 74552940) is N'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine is CN(C)CCN(Cc1ccccc1)CC1CNNC1c1ccc(Cl)cc1.
What is the InChIKey of N'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is NVJIXVZSGITTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4/c1-25(2)12-13-26(15-17-6-4-3-5-7-17)16-19-14-23-24-21(19)18-8-10-20(22)11-9-18/h3-11,19,21,23-24H,12-16H2,1-2H3.
What are the key properties of N'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine?
N'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 372.94 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 74552940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).