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

C12H15N5 — CID 110893190

IUPAC2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
SMILESNC(N)=NCc1ccccc1Cn1cccn1
InChIInChI=1S/C12H15N5/c13-12(14)15-8-10-4-1-2-5-11(10)9-17-7-3-6-16-17/h1-7H,8-9H2,(H4,13,14,15)
InChIKeyLNLHNLYSLBATLN-UHFFFAOYSA-N
MW229.29 g/mol
LogP0.70
Rot. Bonds4

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

2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine (PubChem CID 110893190) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
PubChem CID110893190
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
SMILESNC(N)=NCc1ccccc1Cn1cccn1
InChIInChI=1S/C12H15N5/c13-12(14)15-8-10-4-1-2-5-11(10)9-17-7-3-6-16-17/h1-7H,8-9H2,(H4,13,14,15)
InChIKeyLNLHNLYSLBATLN-UHFFFAOYSA-N
XLogP0.70
TPSA82.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 50.70
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 110893192
1-propyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111038103
3-ethyl-1,1-dimethyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111851916
3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111038144
1-(diaminomethylidene)-2-[2-(pyrazol-1-ylmethyl)phenyl]guanidine
CID 168605760
1-ethyl-3-propan-2-yl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111125273
1-(3-propan-2-ylphenyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111038147
1-ethyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111851443
1-ethyl-3-(2-methylpropyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111179235
1-cyclopropyl-3-ethyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110989312
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111038122
4-acetyl-N-ethyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 110963854

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine?
The IUPAC name of 2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine (CID 110893190) is 2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine?
The canonical SMILES for 2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine is NC(N)=NCc1ccccc1Cn1cccn1.
What is the InChIKey of 2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine?
The InChIKey is LNLHNLYSLBATLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c13-12(14)15-8-10-4-1-2-5-11(10)9-17-7-3-6-16-17/h1-7H,8-9H2,(H4,13,14,15).
What are the key properties of 2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine?
2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine has a molecular weight of 229.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine is sourced from PubChem (CID 110893190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).