1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine

C20H30N6 — CID 134127452

IUPAC1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCc1ccc(C)c(C2NNCC2CN2CCC(c3nncn3C)CC2)c1
InChIInChI=1S/C20H30N6/c1-14-4-5-15(2)18(10-14)19-17(11-21-23-19)12-26-8-6-16(7-9-26)20-24-22-13-25(20)3/h4-5,10,13,16-17,19,21,23H,6-9,11-12H2,1-3H3
InChIKeyZSBNWWLNDTWKCN-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.08
Rot. Bonds4

About 1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine

1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 134127452) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID134127452
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC Name1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCc1ccc(C)c(C2NNCC2CN2CCC(c3nncn3C)CC2)c1
InChIInChI=1S/C20H30N6/c1-14-4-5-15(2)18(10-14)19-17(11-21-23-19)12-26-8-6-16(7-9-26)20-24-22-13-25(20)3/h4-5,10,13,16-17,19,21,23H,6-9,11-12H2,1-3H3
InChIKeyZSBNWWLNDTWKCN-UHFFFAOYSA-N
XLogP2.08
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine 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 1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine (CID 134127452) is 1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine is Cc1ccc(C)c(C2NNCC2CN2CCC(c3nncn3C)CC2)c1.
What is the InChIKey of 1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is ZSBNWWLNDTWKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-14-4-5-15(2)18(10-14)19-17(11-21-23-19)12-26-8-6-16(7-9-26)20-24-22-13-25(20)3/h4-5,10,13,16-17,19,21,23H,6-9,11-12H2,1-3H3.
What are the key properties of 1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine?
1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 354.50 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 134127452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).