1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide

C14H20IN5 — CID 111815915

IUPAC1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1cccc(-n2cccn2)c1.I
InChIInChI=1S/C14H19N5.HI/c1-2-7-16-14(15)17-11-12-5-3-6-13(10-12)19-9-4-8-18-19;/h3-6,8-10H,2,7,11H2,1H3,(H3,15,16,17);1H
InChIKeyWIDOVMJLEZMPIY-UHFFFAOYSA-N
MW385.25 g/mol
LogP2.30
Rot. Bonds5

About 1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide

1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide (PubChem CID 111815915) has the molecular formula C14H20IN5 and a molecular weight of 385.25 g/mol. Its IUPAC name is 1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
PubChem CID111815915
Molecular FormulaC14H20IN5
Molecular Weight385.25 g/mol
Exact Mass385.08
IUPAC Name1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1cccc(-n2cccn2)c1.I
InChIInChI=1S/C14H19N5.HI/c1-2-7-16-14(15)17-11-12-5-3-6-13(10-12)19-9-4-8-18-19;/h3-6,8-10H,2,7,11H2,1H3,(H3,15,16,17);1H
InChIKeyWIDOVMJLEZMPIY-UHFFFAOYSA-N
XLogP2.30
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 52.30
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-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]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

1-hexyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111815931
1-propyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063312
2-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111425032
1-ethyl-3-(2-phenylethyl)-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111792176
1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 110916111
1-ethyl-3-(2-phenylethyl)-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111792177
1-(2-phenylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063314
1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 110916112
1-cyclopentyl-3-ethyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111790963
2-[(3-ethoxyphenyl)methyl]-1-propylguanidine;hydroiodide
CID 110912184
2-[[3-(dimethylamino)phenyl]methyl]-1-propylguanidine
CID 111045594
1-propyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111038103

Frequently Asked Questions

What is the IUPAC name of 1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide (CID 111815915) is 1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide is CCCN/C(N)=N/Cc1cccc(-n2cccn2)c1.I.
What is the InChIKey of 1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide?
The InChIKey is WIDOVMJLEZMPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5.HI/c1-2-7-16-14(15)17-11-12-5-3-6-13(10-12)19-9-4-8-18-19;/h3-6,8-10H,2,7,11H2,1H3,(H3,15,16,17);1H.
What are the key properties of 1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide?
1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide has a molecular weight of 385.25 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111815915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).