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

C19H21N5 — CID 111063314

IUPAC1-(2-phenylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
SMILESN/C(=N\Cc1ccc(-n2cccn2)cc1)NCCc1ccccc1
InChIInChI=1S/C19H21N5/c20-19(21-13-11-16-5-2-1-3-6-16)22-15-17-7-9-18(10-8-17)24-14-4-12-23-24/h1-10,12,14H,11,13,15H2,(H3,20,21,22)
InChIKeyGQEWJANMWKQEOE-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.52
Rot. Bonds6

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

1-(2-phenylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine (PubChem CID 111063314) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-(2-phenylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(2-phenylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
PubChem CID111063314
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name1-(2-phenylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
SMILESN/C(=N\Cc1ccc(-n2cccn2)cc1)NCCc1ccccc1
InChIInChI=1S/C19H21N5/c20-19(21-13-11-16-5-2-1-3-6-16)22-15-17-7-9-18(10-8-17)24-14-4-12-23-24/h1-10,12,14H,11,13,15H2,(H3,20,21,22)
InChIKeyGQEWJANMWKQEOE-UHFFFAOYSA-N
XLogP2.52
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.52
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-phenylethyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111039641
1-propyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111063312
1-(2-phenylethyl)-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111071760
1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 110916112
1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 110916111
2-(3-methylbutyl)-1-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111039633
1-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111039657
2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111064066
1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 110916114
1-propyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111815915
2-methyl-1-(2-phenylethyl)-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111134200
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111230098

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
The IUPAC name of 1-(2-phenylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine (CID 111063314) is 1-(2-phenylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine.
What is the SMILES notation for 1-(2-phenylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
The canonical SMILES for 1-(2-phenylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine is N/C(=N\Cc1ccc(-n2cccn2)cc1)NCCc1ccccc1.
What is the InChIKey of 1-(2-phenylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
The InChIKey is GQEWJANMWKQEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c20-19(21-13-11-16-5-2-1-3-6-16)22-15-17-7-9-18(10-8-17)24-14-4-12-23-24/h1-10,12,14H,11,13,15H2,(H3,20,21,22).
What are the key properties of 1-(2-phenylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine?
1-(2-phenylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine has a molecular weight of 319.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine is sourced from PubChem (CID 111063314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).