1-propyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine

C14H19N5 — CID 111063312

IUPAC1-propyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
SMILESCCCN/C(N)=N/Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H19N5/c1-2-8-16-14(15)17-11-12-4-6-13(7-5-12)19-10-3-9-18-19/h3-7,9-10H,2,8,11H2,1H3,(H3,15,16,17)
InChIKeyBNUGJWMALSHHPS-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.69
Rot. Bonds5

About 1-propyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine

1-propyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine (PubChem CID 111063312) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-propyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-propyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
PubChem CID111063312
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name1-propyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
SMILESCCCN/C(N)=N/Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H19N5/c1-2-8-16-14(15)17-11-12-4-6-13(7-5-12)19-10-3-9-18-19/h3-7,9-10H,2,8,11H2,1H3,(H3,15,16,17)
InChIKeyBNUGJWMALSHHPS-UHFFFAOYSA-N
XLogP1.69
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.69
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-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 110916112
1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111815915
1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 110916111
1-(2-phenylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063314
1-(3,4-dimethylphenyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063322
1-hexyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111815931
1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 110916114
1-(6-methylheptan-2-yl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063330
1-cyclohexyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063308
1-(2-phenylethyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111039641
2-(3-methylbutyl)-1-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111039633
1-(4-butan-2-ylphenyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111063303

Frequently Asked Questions

What is the IUPAC name of 1-propyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
The IUPAC name of 1-propyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine (CID 111063312) is 1-propyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine.
What is the SMILES notation for 1-propyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
The canonical SMILES for 1-propyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine is CCCN/C(N)=N/Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-propyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
The InChIKey is BNUGJWMALSHHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-8-16-14(15)17-11-12-4-6-13(7-5-12)19-10-3-9-18-19/h3-7,9-10H,2,8,11H2,1H3,(H3,15,16,17).
What are the key properties of 1-propyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
1-propyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine has a molecular weight of 257.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine is sourced from PubChem (CID 111063312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).