1-butan-2-yl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide

C10H20IN5 — CID 110920836

IUPAC1-butan-2-yl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
SMILESCCC(C)N/C(N)=N/CCn1cccn1.I
InChIInChI=1S/C10H19N5.HI/c1-3-9(2)14-10(11)12-6-8-15-7-4-5-13-15;/h4-5,7,9H,3,6,8H2,1-2H3,(H3,11,12,14);1H
InChIKeyWKDIQKULFSRWTO-UHFFFAOYSA-N
MW337.21 g/mol
LogP1.20
Rot. Bonds5

About 1-butan-2-yl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide

1-butan-2-yl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide (PubChem CID 110920836) has the molecular formula C10H20IN5 and a molecular weight of 337.21 g/mol. Its IUPAC name is 1-butan-2-yl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-butan-2-yl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
PubChem CID110920836
Molecular FormulaC10H20IN5
Molecular Weight337.21 g/mol
Exact Mass337.08
IUPAC Name1-butan-2-yl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
SMILESCCC(C)N/C(N)=N/CCn1cccn1.I
InChIInChI=1S/C10H19N5.HI/c1-3-9(2)14-10(11)12-6-8-15-7-4-5-13-15;/h4-5,7,9H,3,6,8H2,1-2H3,(H3,11,12,14);1H
InChIKeyWKDIQKULFSRWTO-UHFFFAOYSA-N
XLogP1.20
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 51.20
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'}

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Related Compounds

2-(3-methylbutyl)-1-(2-pyrazol-1-ylethyl)guanidine
CID 111074805
1-phenyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 110912588
1-cyclopropyl-2-(2-pyrazol-1-ylethyl)guanidine
CID 62361824
1-ethyl-3-(3-methylbutan-2-yl)-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111002828
1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111074814
1-butan-2-yl-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 110920420
1-ethyl-3-(6-methylheptan-2-yl)-2-(2-pyrazol-1-ylethyl)guanidine
CID 111173311
3-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111074838
4-methyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110920838
1-(4-methylphenyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111046515
N-[2-[[amino-(butan-2-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide
CID 110920595
1-butan-2-yl-2-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 110920553

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-butan-2-yl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide (CID 110920836) is 1-butan-2-yl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-butan-2-yl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-butan-2-yl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide is CCC(C)N/C(N)=N/CCn1cccn1.I.
What is the InChIKey of 1-butan-2-yl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide?
The InChIKey is WKDIQKULFSRWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5.HI/c1-3-9(2)14-10(11)12-6-8-15-7-4-5-13-15;/h4-5,7,9H,3,6,8H2,1-2H3,(H3,11,12,14);1H.
What are the key properties of 1-butan-2-yl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide?
1-butan-2-yl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide has a molecular weight of 337.21 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110920836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).