2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine

C20H28N6 — CID 111973650

IUPAC2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
SMILESC/N=C(/NCCc1c[nH]c2cc(C)ccc12)NCC(C)Cn1cccn1
InChIInChI=1S/C20H28N6/c1-15-5-6-18-17(13-23-19(18)11-15)7-9-22-20(21-3)24-12-16(2)14-26-10-4-8-25-26/h4-6,8,10-11,13,16,23H,7,9,12,14H2,1-3H3,(H2,21,22,24)
InChIKeyWDFLDOSXWCWLFA-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.72
Rot. Bonds7

About 2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine

2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine (PubChem CID 111973650) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
PubChem CID111973650
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
SMILESC/N=C(/NCCc1c[nH]c2cc(C)ccc12)NCC(C)Cn1cccn1
InChIInChI=1S/C20H28N6/c1-15-5-6-18-17(13-23-19(18)11-15)7-9-22-20(21-3)24-12-16(2)14-26-10-4-8-25-26/h4-6,8,10-11,13,16,23H,7,9,12,14H2,1-3H3,(H2,21,22,24)
InChIKeyWDFLDOSXWCWLFA-UHFFFAOYSA-N
XLogP2.72
TPSA70.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.72
H-Bond Donors ≤ 53
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

2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111973659
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111389356
N-[3-[[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide;hydroiodide
CID 111974041
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111955412
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-propan-2-ylguanidine;hydroiodide
CID 111127001
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111888866
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111973964
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111973990
1-(2-methoxy-2-phenylethyl)-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111875793
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111197250
1-[2-[ethyl(methyl)amino]ethyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111973940
1-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111358453

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
The IUPAC name of 2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine (CID 111973650) is 2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine.
What is the SMILES notation for 2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
The canonical SMILES for 2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine is C/N=C(/NCCc1c[nH]c2cc(C)ccc12)NCC(C)Cn1cccn1.
What is the InChIKey of 2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
The InChIKey is WDFLDOSXWCWLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-15-5-6-18-17(13-23-19(18)11-15)7-9-22-20(21-3)24-12-16(2)14-26-10-4-8-25-26/h4-6,8,10-11,13,16,23H,7,9,12,14H2,1-3H3,(H2,21,22,24).
What are the key properties of 2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine has a molecular weight of 352.49 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine is sourced from PubChem (CID 111973650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).