1-phenyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine

C18H19N5 — CID 110893192

IUPAC1-phenyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
SMILESN/C(=N\Cc1ccccc1Cn1cccn1)Nc1ccccc1
InChIInChI=1S/C18H19N5/c19-18(22-17-9-2-1-3-10-17)20-13-15-7-4-5-8-16(15)14-23-12-6-11-21-23/h1-12H,13-14H2,(H3,19,20,22)
InChIKeyAIXJJGJNRPSXHL-UHFFFAOYSA-N
MW305.39 g/mol
LogP2.86
Rot. Bonds5

About 1-phenyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine

1-phenyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine (PubChem CID 110893192) has the molecular formula C18H19N5 and a molecular weight of 305.39 g/mol. Its IUPAC name is 1-phenyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-phenyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
PubChem CID110893192
Molecular FormulaC18H19N5
Molecular Weight305.39 g/mol
Exact Mass305.16
IUPAC Name1-phenyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
SMILESN/C(=N\Cc1ccccc1Cn1cccn1)Nc1ccccc1
InChIInChI=1S/C18H19N5/c19-18(22-17-9-2-1-3-10-17)20-13-15-7-4-5-8-16(15)14-23-12-6-11-21-23/h1-12H,13-14H2,(H3,19,20,22)
InChIKeyAIXJJGJNRPSXHL-UHFFFAOYSA-N
XLogP2.86
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 52.86
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-(3-propan-2-ylphenyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111038147
2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 110893190
1-propyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111038103
1-phenyl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 110912588
2-[(2-imidazol-1-ylphenyl)methyl]-1-phenylguanidine
CID 110918260
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111038122
3-ethyl-1,1-dimethyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111851916
1-(4-methylphenyl)-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111046515
1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide
CID 110912451
2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111817684
2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine
CID 110918169
1-ethyl-3-propan-2-yl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111125273

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine?
The IUPAC name of 1-phenyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine (CID 110893192) is 1-phenyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 1-phenyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine?
The canonical SMILES for 1-phenyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine is N/C(=N\Cc1ccccc1Cn1cccn1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine?
The InChIKey is AIXJJGJNRPSXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c19-18(22-17-9-2-1-3-10-17)20-13-15-7-4-5-8-16(15)14-23-12-6-11-21-23/h1-12H,13-14H2,(H3,19,20,22).
What are the key properties of 1-phenyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine?
1-phenyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine has a molecular weight of 305.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine is sourced from PubChem (CID 110893192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).