2-(3-methylbutyl)-1-(2-pyrazol-1-ylethyl)guanidine

C11H21N5 — CID 111074805

IUPAC2-(3-methylbutyl)-1-(2-pyrazol-1-ylethyl)guanidine
SMILESCC(C)CC/N=C(\N)NCCn1cccn1
InChIInChI=1S/C11H21N5/c1-10(2)4-6-13-11(12)14-7-9-16-8-3-5-15-16/h3,5,8,10H,4,6-7,9H2,1-2H3,(H3,12,13,14)
InChIKeyOMRAYOKDGNOCPZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.83
Rot. Bonds6

About 2-(3-methylbutyl)-1-(2-pyrazol-1-ylethyl)guanidine

2-(3-methylbutyl)-1-(2-pyrazol-1-ylethyl)guanidine (PubChem CID 111074805) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(3-methylbutyl)-1-(2-pyrazol-1-ylethyl)guanidine.

Molecular Properties

Compound Name2-(3-methylbutyl)-1-(2-pyrazol-1-ylethyl)guanidine
PubChem CID111074805
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name2-(3-methylbutyl)-1-(2-pyrazol-1-ylethyl)guanidine
SMILESCC(C)CC/N=C(\N)NCCn1cccn1
InChIInChI=1S/C11H21N5/c1-10(2)4-6-13-11(12)14-7-9-16-8-3-5-15-16/h3,5,8,10H,4,6-7,9H2,1-2H3,(H3,12,13,14)
InChIKeyOMRAYOKDGNOCPZ-UHFFFAOYSA-N
XLogP0.83
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.83
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'}

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Related Compounds

2-(3-methylbutyl)-1-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 111806225
1-butan-2-yl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 110920836
2-(3-methylbutyl)-1-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111039633
1-ethyl-3-(6-methylheptan-2-yl)-2-(2-pyrazol-1-ylethyl)guanidine
CID 111173311
1-(2-phenylethyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111046491
N'-hydroxy-2-(2-pyrazol-1-ylethylamino)propanimidamide
CID 77031329
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-ethyl-2-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111715690
1-(3-methylbutyl)-2-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 111083503
(2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide
CID 61460950
1-[2-[ethyl(propan-2-yl)amino]ethyl]-2-(3-methylbutyl)guanidine
CID 111096392

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-1-(2-pyrazol-1-ylethyl)guanidine?
The IUPAC name of 2-(3-methylbutyl)-1-(2-pyrazol-1-ylethyl)guanidine (CID 111074805) is 2-(3-methylbutyl)-1-(2-pyrazol-1-ylethyl)guanidine.
What is the SMILES notation for 2-(3-methylbutyl)-1-(2-pyrazol-1-ylethyl)guanidine?
The canonical SMILES for 2-(3-methylbutyl)-1-(2-pyrazol-1-ylethyl)guanidine is CC(C)CC/N=C(\N)NCCn1cccn1.
What is the InChIKey of 2-(3-methylbutyl)-1-(2-pyrazol-1-ylethyl)guanidine?
The InChIKey is OMRAYOKDGNOCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-10(2)4-6-13-11(12)14-7-9-16-8-3-5-15-16/h3,5,8,10H,4,6-7,9H2,1-2H3,(H3,12,13,14).
What are the key properties of 2-(3-methylbutyl)-1-(2-pyrazol-1-ylethyl)guanidine?
2-(3-methylbutyl)-1-(2-pyrazol-1-ylethyl)guanidine has a molecular weight of 223.32 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-1-(2-pyrazol-1-ylethyl)guanidine is sourced from PubChem (CID 111074805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).