2-benzyl-1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine

C20H23N5 — CID 110953152

IUPAC2-benzyl-1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H23N5/c1-2-21-20(22-15-17-7-4-3-5-8-17)23-16-18-9-11-19(12-10-18)25-14-6-13-24-25/h3-14H,2,15-16H2,1H3,(H2,21,22,23)
InChIKeyJBGDAMQZLWLGNA-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.13
Rot. Bonds6

About 2-benzyl-1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine

2-benzyl-1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine (PubChem CID 110953152) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-benzyl-1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine.

Molecular Properties

Compound Name2-benzyl-1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine
PubChem CID110953152
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name2-benzyl-1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C20H23N5/c1-2-21-20(22-15-17-7-4-3-5-8-17)23-16-18-9-11-19(12-10-18)25-14-6-13-24-25/h3-14H,2,15-16H2,1H3,(H2,21,22,23)
InChIKeyJBGDAMQZLWLGNA-UHFFFAOYSA-N
XLogP3.13
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.13
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'}

Analyze 2-benzyl-1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine 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

1-ethyl-2-[(4-pyrazol-1-ylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 110969018
1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]-2-(thiophen-3-ylmethyl)guanidine
CID 111940723
1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111940722
1-ethyl-3-(furan-2-ylmethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 110937811
1-ethyl-3-(2-phenoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111005324
1-ethyl-2-[(4-pyrazol-1-ylphenyl)methyl]-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111905941
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111230098
1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine
CID 111863868
2-benzyl-1-ethyl-3-[(4-hydroxyphenyl)methyl]guanidine
CID 110953698
1-(3-ethoxypropyl)-3-ethyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111224008
2-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine
CID 111864156
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111340619

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
The IUPAC name of 2-benzyl-1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine (CID 110953152) is 2-benzyl-1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine.
What is the SMILES notation for 2-benzyl-1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
The canonical SMILES for 2-benzyl-1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine is CCN/C(=N\Cc1ccccc1)NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-benzyl-1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
The InChIKey is JBGDAMQZLWLGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-2-21-20(22-15-17-7-4-3-5-8-17)23-16-18-9-11-19(12-10-18)25-14-6-13-24-25/h3-14H,2,15-16H2,1H3,(H2,21,22,23).
What are the key properties of 2-benzyl-1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
2-benzyl-1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine has a molecular weight of 333.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-ethyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine is sourced from PubChem (CID 110953152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).