1-(3-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine

C18H26N6O — CID 111074475

IUPAC1-(3-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine
SMILESN/C(=N\Cc1ccccc1-n1cccn1)NCCCN1CCOCC1
InChIInChI=1S/C18H26N6O/c19-18(20-7-3-9-23-11-13-25-14-12-23)21-15-16-5-1-2-6-17(16)24-10-4-8-22-24/h1-2,4-6,8,10H,3,7,9,11-15H2,(H3,19,20,21)
InChIKeyXNYQKQHCFBMFOI-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.00
Rot. Bonds7

About 1-(3-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine

1-(3-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine (PubChem CID 111074475) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine
PubChem CID111074475
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-(3-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine
SMILESN/C(=N\Cc1ccccc1-n1cccn1)NCCCN1CCOCC1
InChIInChI=1S/C18H26N6O/c19-18(20-7-3-9-23-11-13-25-14-12-23)21-15-16-5-1-2-6-17(16)24-10-4-8-22-24/h1-2,4-6,8,10H,3,7,9,11-15H2,(H3,19,20,21)
InChIKeyXNYQKQHCFBMFOI-UHFFFAOYSA-N
XLogP1.00
TPSA80.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(3-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-ylphenyl)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

4-[3-(2-pyrazol-1-ylphenyl)propyl]morpholine
CID 170869917
1-(3-methylbutyl)-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine
CID 111074457
1-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111070163
1-(3-morpholin-4-ylpropyl)-2-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111050553
2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111039747
2-[[2-(2-methylpropoxy)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111074543
1-(3-morpholin-4-ylpropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
CID 111071565
2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111033514
1-tert-butyl-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine
CID 62362234
2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111077966
1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 110972951
2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 91642297

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine (CID 111074475) is 1-(3-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine is N/C(=N\Cc1ccccc1-n1cccn1)NCCCN1CCOCC1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine?
The InChIKey is XNYQKQHCFBMFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c19-18(20-7-3-9-23-11-13-25-14-12-23)21-15-16-5-1-2-6-17(16)24-10-4-8-22-24/h1-2,4-6,8,10H,3,7,9,11-15H2,(H3,19,20,21).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine?
1-(3-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine has a molecular weight of 342.45 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine is sourced from PubChem (CID 111074475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).