1-(4-methylphenyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide

C14H20IN5 — CID 111046515

IUPAC1-(4-methylphenyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
SMILESCc1ccc(N/C(N)=N/CCCn2cccn2)cc1.I
InChIInChI=1S/C14H19N5.HI/c1-12-4-6-13(7-5-12)18-14(15)16-8-2-10-19-11-3-9-17-19;/h3-7,9,11H,2,8,10H2,1H3,(H3,15,16,18);1H
InChIKeyRHBHQINNJYPNPK-UHFFFAOYSA-N
MW385.25 g/mol
LogP2.63
Rot. Bonds5

About 1-(4-methylphenyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide

1-(4-methylphenyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide (PubChem CID 111046515) has the molecular formula C14H20IN5 and a molecular weight of 385.25 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
PubChem CID111046515
Molecular FormulaC14H20IN5
Molecular Weight385.25 g/mol
Exact Mass385.08
IUPAC Name1-(4-methylphenyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
SMILESCc1ccc(N/C(N)=N/CCCn2cccn2)cc1.I
InChIInChI=1S/C14H19N5.HI/c1-12-4-6-13(7-5-12)18-14(15)16-8-2-10-19-11-3-9-17-19;/h3-7,9,11H,2,8,10H2,1H3,(H3,15,16,18);1H
InChIKeyRHBHQINNJYPNPK-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 110912588
1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111074814
1-(4-methylphenyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111070545
1-(3-chloro-4-methoxyphenyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111046562
1-(4-methylphenyl)-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111064745
2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(4-methylphenyl)guanidine
CID 111810676
1-(2-phenylethyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111046491
1-(4-methylphenyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111066872
1-(4-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)butyl]guanidine
CID 111060169
1-phenyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 110893192
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 119119806
2-[3-(2-methylphenoxy)propyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111803571

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-(4-methylphenyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide (CID 111046515) is 1-(4-methylphenyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(4-methylphenyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(4-methylphenyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide is Cc1ccc(N/C(N)=N/CCCn2cccn2)cc1.I.
What is the InChIKey of 1-(4-methylphenyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide?
The InChIKey is RHBHQINNJYPNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5.HI/c1-12-4-6-13(7-5-12)18-14(15)16-8-2-10-19-11-3-9-17-19;/h3-7,9,11H,2,8,10H2,1H3,(H3,15,16,18);1H.
What are the key properties of 1-(4-methylphenyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide?
1-(4-methylphenyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide has a molecular weight of 385.25 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111046515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).