1-(2,3-diphenylpropyl)-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide

C25H34IN5 — CID 109389315

IUPAC1-(2,3-diphenylpropyl)-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
SMILESC/N=C(\NCCc1c(C)nn(C)c1C)NCC(Cc1ccccc1)c1ccccc1.I
InChIInChI=1S/C25H33N5.HI/c1-19-24(20(2)30(4)29-19)15-16-27-25(26-3)28-18-23(22-13-9-6-10-14-22)17-21-11-7-5-8-12-21;/h5-14,23H,15-18H2,1-4H3,(H2,26,27,28);1H
InChIKeySZQACCKDWLFFDA-UHFFFAOYSA-N
MW531.49 g/mol
LogP4.39
Rot. Bonds8

About 1-(2,3-diphenylpropyl)-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide

1-(2,3-diphenylpropyl)-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide (PubChem CID 109389315) has the molecular formula C25H34IN5 and a molecular weight of 531.49 g/mol. Its IUPAC name is 1-(2,3-diphenylpropyl)-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2,3-diphenylpropyl)-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
PubChem CID109389315
Molecular FormulaC25H34IN5
Molecular Weight531.49 g/mol
Exact Mass531.19
IUPAC Name1-(2,3-diphenylpropyl)-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
SMILESC/N=C(\NCCc1c(C)nn(C)c1C)NCC(Cc1ccccc1)c1ccccc1.I
InChIInChI=1S/C25H33N5.HI/c1-19-24(20(2)30(4)29-19)15-16-27-25(26-3)28-18-23(22-13-9-6-10-14-22)17-21-11-7-5-8-12-21;/h5-14,23H,15-18H2,1-4H3,(H2,26,27,28);1H
InChIKeySZQACCKDWLFFDA-UHFFFAOYSA-N
XLogP4.39
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.49
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(2,3-diphenylpropyl)-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-1-(2-phenylethyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111134476
1-[2-(3-fluorophenyl)ethyl]-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111395683
2-methyl-1-(3-phenoxypropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111418082
2-methyl-1-[(3-methylphenyl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111899836
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(2,3-diphenylpropyl)-2-methylguanidine
CID 109389801
1-[(2-ethylphenyl)methyl]-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111635774
1-[2-(2-fluorophenoxy)propyl]-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111684203
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111362093
1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111264656
2-methyl-1-[2-(4-methylsulfonylphenyl)ethyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111614024
2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111603265
1-(2,3-diphenylpropyl)-2-methyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 109389810

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diphenylpropyl)-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-(2,3-diphenylpropyl)-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide (CID 109389315) is 1-(2,3-diphenylpropyl)-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2,3-diphenylpropyl)-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2,3-diphenylpropyl)-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide is C/N=C(\NCCc1c(C)nn(C)c1C)NCC(Cc1ccccc1)c1ccccc1.I.
What is the InChIKey of 1-(2,3-diphenylpropyl)-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
The InChIKey is SZQACCKDWLFFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5.HI/c1-19-24(20(2)30(4)29-19)15-16-27-25(26-3)28-18-23(22-13-9-6-10-14-22)17-21-11-7-5-8-12-21;/h5-14,23H,15-18H2,1-4H3,(H2,26,27,28);1H.
What are the key properties of 1-(2,3-diphenylpropyl)-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
1-(2,3-diphenylpropyl)-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide has a molecular weight of 531.49 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diphenylpropyl)-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 109389315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).