1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-[[2-methyl-1-(2-methylpropyl)indol-3-yl]methyl]methanamine

C20H28N4O — CID 46982504

IUPAC1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-[[2-methyl-1-(2-methylpropyl)indol-3-yl]methyl]methanamine
SMILESCOCc1cc(CNCc2c(C)n(CC(C)C)c3ccccc23)n[nH]1
InChIInChI=1S/C20H28N4O/c1-14(2)12-24-15(3)19(18-7-5-6-8-20(18)24)11-21-10-16-9-17(13-25-4)23-22-16/h5-9,14,21H,10-13H2,1-4H3,(H,22,23)
InChIKeyYZTFFGVVWGYMRP-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.77
Rot. Bonds8

About 1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-[[2-methyl-1-(2-methylpropyl)indol-3-yl]methyl]methanamine

1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-[[2-methyl-1-(2-methylpropyl)indol-3-yl]methyl]methanamine (PubChem CID 46982504) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-[[2-methyl-1-(2-methylpropyl)indol-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-[[2-methyl-1-(2-methylpropyl)indol-3-yl]methyl]methanamine
PubChem CID46982504
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-[[2-methyl-1-(2-methylpropyl)indol-3-yl]methyl]methanamine
SMILESCOCc1cc(CNCc2c(C)n(CC(C)C)c3ccccc23)n[nH]1
InChIInChI=1S/C20H28N4O/c1-14(2)12-24-15(3)19(18-7-5-6-8-20(18)24)11-21-10-16-9-17(13-25-4)23-22-16/h5-9,14,21H,10-13H2,1-4H3,(H,22,23)
InChIKeyYZTFFGVVWGYMRP-UHFFFAOYSA-N
XLogP3.77
TPSA54.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-[[2-methyl-1-(2-methylpropyl)indol-3-yl]methyl]methanamine?
The IUPAC name of 1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-[[2-methyl-1-(2-methylpropyl)indol-3-yl]methyl]methanamine (CID 46982504) is 1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-[[2-methyl-1-(2-methylpropyl)indol-3-yl]methyl]methanamine.
What is the SMILES notation for 1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-[[2-methyl-1-(2-methylpropyl)indol-3-yl]methyl]methanamine?
The canonical SMILES for 1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-[[2-methyl-1-(2-methylpropyl)indol-3-yl]methyl]methanamine is COCc1cc(CNCc2c(C)n(CC(C)C)c3ccccc23)n[nH]1.
What is the InChIKey of 1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-[[2-methyl-1-(2-methylpropyl)indol-3-yl]methyl]methanamine?
The InChIKey is YZTFFGVVWGYMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14(2)12-24-15(3)19(18-7-5-6-8-20(18)24)11-21-10-16-9-17(13-25-4)23-22-16/h5-9,14,21H,10-13H2,1-4H3,(H,22,23).
What are the key properties of 1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-[[2-methyl-1-(2-methylpropyl)indol-3-yl]methyl]methanamine?
1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-[[2-methyl-1-(2-methylpropyl)indol-3-yl]methyl]methanamine has a molecular weight of 340.47 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methoxymethyl)-1H-pyrazol-3-yl]-N-[[2-methyl-1-(2-methylpropyl)indol-3-yl]methyl]methanamine is sourced from PubChem (CID 46982504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).