N'-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide

C13H24IN5 — CID 111070597

IUPACN'-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCC(C/N=C(\N)N1CCCCC1)Cn1cccn1.I
InChIInChI=1S/C13H23N5.HI/c1-12(11-18-9-5-6-16-18)10-15-13(14)17-7-3-2-4-8-17;/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H2,14,15);1H
InChIKeySLXZZIUGSVIKEF-UHFFFAOYSA-N
MW377.27 g/mol
LogP1.94
Rot. Bonds4

About N'-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide

N'-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111070597) has the molecular formula C13H24IN5 and a molecular weight of 377.27 g/mol. Its IUPAC name is N'-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111070597
Molecular FormulaC13H24IN5
Molecular Weight377.27 g/mol
Exact Mass377.11
IUPAC NameN'-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCC(C/N=C(\N)N1CCCCC1)Cn1cccn1.I
InChIInChI=1S/C13H23N5.HI/c1-12(11-18-9-5-6-16-18)10-15-13(14)17-7-3-2-4-8-17;/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H2,14,15);1H
InChIKeySLXZZIUGSVIKEF-UHFFFAOYSA-N
XLogP1.94
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 51.94
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'}

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Related Compounds

N'-(2-methyl-3-pyrazol-1-ylpropyl)azepane-1-carboximidamide;hydroiodide
CID 86779281
1,1,3,3-tetramethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111070558
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide
CID 111126008
N'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 75534648
1-(4-methylphenyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111070545
N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111031155
1-(3-ethylphenyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111070553
2-(2-methyl-3-pyrazol-1-ylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111070583
N-[2-[[N-ethyl-N'-(2-methyl-3-pyrazol-1-ylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111927691
ethyl 4-[[N-ethyl-N'-(2-methyl-3-pyrazol-1-ylpropyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111327959
3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111074838
1-ethyl-3-(3-methylbutyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 110979182

Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide (CID 111070597) is N'-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide is CC(C/N=C(\N)N1CCCCC1)Cn1cccn1.I.
What is the InChIKey of N'-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is SLXZZIUGSVIKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5.HI/c1-12(11-18-9-5-6-16-18)10-15-13(14)17-7-3-2-4-8-17;/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H2,14,15);1H.
What are the key properties of N'-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide?
N'-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 377.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111070597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).