1-(3-indol-1-ylpropyl)-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine

C18H24N6 — CID 111342033

IUPAC1-(3-indol-1-ylpropyl)-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine
SMILESC/N=C(/NCCCn1ccc2ccccc21)NCCn1cccn1
InChIInChI=1S/C18H24N6/c1-19-18(21-11-15-24-13-5-10-22-24)20-9-4-12-23-14-8-16-6-2-3-7-17(16)23/h2-3,5-8,10,13-14H,4,9,11-12,15H2,1H3,(H2,19,20,21)
InChIKeyRVPGONHLSWBTJR-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.09
Rot. Bonds7

About 1-(3-indol-1-ylpropyl)-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine

1-(3-indol-1-ylpropyl)-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine (PubChem CID 111342033) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-(3-indol-1-ylpropyl)-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine.

Molecular Properties

Compound Name1-(3-indol-1-ylpropyl)-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine
PubChem CID111342033
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name1-(3-indol-1-ylpropyl)-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine
SMILESC/N=C(/NCCCn1ccc2ccccc21)NCCn1cccn1
InChIInChI=1S/C18H24N6/c1-19-18(21-11-15-24-13-5-10-22-24)20-9-4-12-23-14-8-16-6-2-3-7-17(16)23/h2-3,5-8,10,13-14H,4,9,11-12,15H2,1H3,(H2,19,20,21)
InChIKeyRVPGONHLSWBTJR-UHFFFAOYSA-N
XLogP2.09
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

1-(3-indol-1-ylpropyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111341640
1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide
CID 111226439
1-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
CID 111341691
1-[3-(dimethylamino)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
CID 111341203
1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine
CID 110941078
1-[4-(diethylamino)butyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
CID 111341527
1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 110953617
1-[2-(tert-butylamino)ethyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 111766146
1-butan-2-yl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 110944723
methyl 3-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]propanoate
CID 111341359
1-(3-indol-1-ylpropyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine
CID 111341753
1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
CID 111341837

Frequently Asked Questions

What is the IUPAC name of 1-(3-indol-1-ylpropyl)-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine?
The IUPAC name of 1-(3-indol-1-ylpropyl)-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine (CID 111342033) is 1-(3-indol-1-ylpropyl)-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine.
What is the SMILES notation for 1-(3-indol-1-ylpropyl)-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine?
The canonical SMILES for 1-(3-indol-1-ylpropyl)-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine is C/N=C(/NCCCn1ccc2ccccc21)NCCn1cccn1.
What is the InChIKey of 1-(3-indol-1-ylpropyl)-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine?
The InChIKey is RVPGONHLSWBTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-19-18(21-11-15-24-13-5-10-22-24)20-9-4-12-23-14-8-16-6-2-3-7-17(16)23/h2-3,5-8,10,13-14H,4,9,11-12,15H2,1H3,(H2,19,20,21).
What are the key properties of 1-(3-indol-1-ylpropyl)-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine?
1-(3-indol-1-ylpropyl)-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine has a molecular weight of 324.43 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-indol-1-ylpropyl)-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine is sourced from PubChem (CID 111342033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).