2-[(3-pyrazol-1-ylphenyl)methyl]guanidine

C11H13N5 — CID 111425032

IUPAC2-[(3-pyrazol-1-ylphenyl)methyl]guanidine
SMILESNC(N)=NCc1cccc(-n2cccn2)c1
InChIInChI=1S/C11H13N5/c12-11(13)14-8-9-3-1-4-10(7-9)16-6-2-5-15-16/h1-7H,8H2,(H4,12,13,14)
InChIKeyXDGCATRPHPYORF-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.65
Rot. Bonds3

About 2-[(3-pyrazol-1-ylphenyl)methyl]guanidine

2-[(3-pyrazol-1-ylphenyl)methyl]guanidine (PubChem CID 111425032) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-[(3-pyrazol-1-ylphenyl)methyl]guanidine.

Molecular Properties

Compound Name2-[(3-pyrazol-1-ylphenyl)methyl]guanidine
PubChem CID111425032
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name2-[(3-pyrazol-1-ylphenyl)methyl]guanidine
SMILESNC(N)=NCc1cccc(-n2cccn2)c1
InChIInChI=1S/C11H13N5/c12-11(13)14-8-9-3-1-4-10(7-9)16-6-2-5-15-16/h1-7H,8H2,(H4,12,13,14)
InChIKeyXDGCATRPHPYORF-UHFFFAOYSA-N
XLogP0.65
TPSA82.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.65
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

1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111815915
1-hexyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111815931
(3-pyrazol-1-ylphenyl)methanamine;hydrochloride
CID 52988138
(3-pyrazol-1-ylphenyl)methylazanium
CID 3258757
1-ethyl-3-(2-phenylethyl)-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111792177
1-ethyl-3-(2-phenylethyl)-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111792176
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111815857
1-cyclopentyl-3-ethyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111790963
N-(diaminomethylidene)-3-pyrazol-1-ylbenzamide
CID 18945125
2-[(3-fluorophenyl)methyl]guanidine
CID 14963573
1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole
CID 138572768
1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine
CID 56897722

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyrazol-1-ylphenyl)methyl]guanidine?
The IUPAC name of 2-[(3-pyrazol-1-ylphenyl)methyl]guanidine (CID 111425032) is 2-[(3-pyrazol-1-ylphenyl)methyl]guanidine.
What is the SMILES notation for 2-[(3-pyrazol-1-ylphenyl)methyl]guanidine?
The canonical SMILES for 2-[(3-pyrazol-1-ylphenyl)methyl]guanidine is NC(N)=NCc1cccc(-n2cccn2)c1.
What is the InChIKey of 2-[(3-pyrazol-1-ylphenyl)methyl]guanidine?
The InChIKey is XDGCATRPHPYORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c12-11(13)14-8-9-3-1-4-10(7-9)16-6-2-5-15-16/h1-7H,8H2,(H4,12,13,14).
What are the key properties of 2-[(3-pyrazol-1-ylphenyl)methyl]guanidine?
2-[(3-pyrazol-1-ylphenyl)methyl]guanidine has a molecular weight of 215.26 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyrazol-1-ylphenyl)methyl]guanidine is sourced from PubChem (CID 111425032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).