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

C13H26IN5 — CID 111068805

IUPAC2-(2-methylpropyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
SMILESCc1nn(C)c(C)c1CCN/C(N)=N/CC(C)C.I
InChIInChI=1S/C13H25N5.HI/c1-9(2)8-16-13(14)15-7-6-12-10(3)17-18(5)11(12)4;/h9H,6-8H2,1-5H3,(H3,14,15,16);1H
InChIKeyFGOWOWIQLUXPTA-UHFFFAOYSA-N
MW379.29 g/mol
LogP1.76
Rot. Bonds5

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

2-(2-methylpropyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide (PubChem CID 111068805) has the molecular formula C13H26IN5 and a molecular weight of 379.29 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
PubChem CID111068805
Molecular FormulaC13H26IN5
Molecular Weight379.29 g/mol
Exact Mass379.12
IUPAC Name2-(2-methylpropyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
SMILESCc1nn(C)c(C)c1CCN/C(N)=N/CC(C)C.I
InChIInChI=1S/C13H25N5.HI/c1-9(2)8-16-13(14)15-7-6-12-10(3)17-18(5)11(12)4;/h9H,6-8H2,1-5H3,(H3,14,15,16);1H
InChIKeyFGOWOWIQLUXPTA-UHFFFAOYSA-N
XLogP1.76
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 51.76
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 2-(2-methylpropyl)-1-[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-butyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111068793
2-(2-methoxyethyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 110914357
1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 110747749
2-[[4-(trifluoromethoxy)phenyl]methyl]-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111599144
1-butan-2-yl-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 110945595
2-methyl-3-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 119731668
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111822187
1-(3-morpholin-4-ylpropyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111801215
1-(3-hydroxybutyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 111337217
3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 110460217
1-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]guanidine;hydroiodide
CID 110058027
1-(3-hydroxy-4-methylpentyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 111504916

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-(2-methylpropyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide (CID 111068805) is 2-(2-methylpropyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-(2-methylpropyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-(2-methylpropyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide is Cc1nn(C)c(C)c1CCN/C(N)=N/CC(C)C.I.
What is the InChIKey of 2-(2-methylpropyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
The InChIKey is FGOWOWIQLUXPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5.HI/c1-9(2)8-16-13(14)15-7-6-12-10(3)17-18(5)11(12)4;/h9H,6-8H2,1-5H3,(H3,14,15,16);1H.
What are the key properties of 2-(2-methylpropyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide?
2-(2-methylpropyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide has a molecular weight of 379.29 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111068805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).