1-butyl-1,2-dimethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide

C14H28IN5 — CID 111158826

IUPAC1-butyl-1,2-dimethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
SMILESCCCCN(C)/C(=N\C)NCC(C)Cn1cccn1.I
InChIInChI=1S/C14H27N5.HI/c1-5-6-9-18(4)14(15-3)16-11-13(2)12-19-10-7-8-17-19;/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H,15,16);1H
InChIKeyWHVDUQBDCDCZQC-UHFFFAOYSA-N
MW393.32 g/mol
LogP2.44
Rot. Bonds7

About 1-butyl-1,2-dimethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide

1-butyl-1,2-dimethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide (PubChem CID 111158826) has the molecular formula C14H28IN5 and a molecular weight of 393.32 g/mol. Its IUPAC name is 1-butyl-1,2-dimethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-butyl-1,2-dimethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
PubChem CID111158826
Molecular FormulaC14H28IN5
Molecular Weight393.32 g/mol
Exact Mass393.14
IUPAC Name1-butyl-1,2-dimethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
SMILESCCCCN(C)/C(=N\C)NCC(C)Cn1cccn1.I
InChIInChI=1S/C14H27N5.HI/c1-5-6-9-18(4)14(15-3)16-11-13(2)12-19-10-7-8-17-19;/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H,15,16);1H
InChIKeyWHVDUQBDCDCZQC-UHFFFAOYSA-N
XLogP2.44
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
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-butyl-1,2-dimethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)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-butyl-3-ethyl-1-methyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111159527
1-heptan-2-yl-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111195875
2-methyl-1-(2-methyl-3-pyrazol-1-ylpropyl)-3-octan-2-ylguanidine;hydroiodide
CID 111212906
2-methyl-1-(4-methylpentyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111943453
2-methyl-1-(2-methyl-3-pyrazol-1-ylpropyl)-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111345574
1-benzyl-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 110954641
1-(3-methoxypropyl)-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 110976393
1-butyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-1,2-dimethylguanidine;hydroiodide
CID 111158134
1-[2-(4-chlorophenoxy)propyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111680479
methyl 1-[N'-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111254894
tert-butyl N-[3-[[N'-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111886306
N'-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377065

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1,2-dimethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-butyl-1,2-dimethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide (CID 111158826) is 1-butyl-1,2-dimethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-butyl-1,2-dimethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-butyl-1,2-dimethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide is CCCCN(C)/C(=N\C)NCC(C)Cn1cccn1.I.
What is the InChIKey of 1-butyl-1,2-dimethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide?
The InChIKey is WHVDUQBDCDCZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5.HI/c1-5-6-9-18(4)14(15-3)16-11-13(2)12-19-10-7-8-17-19;/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H,15,16);1H.
What are the key properties of 1-butyl-1,2-dimethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide?
1-butyl-1,2-dimethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide has a molecular weight of 393.32 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1,2-dimethyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111158826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).