N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine

C15H18N4 — CID 107235485

IUPACN-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESCn1cc(CNCCn2cccn2)c2ccccc21
InChIInChI=1S/C15H18N4/c1-18-12-13(14-5-2-3-6-15(14)18)11-16-8-10-19-9-4-7-17-19/h2-7,9,12,16H,8,10-11H2,1H3
InChIKeyVCMCWAWKNYITBM-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.16
Rot. Bonds5

About N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine

N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine (PubChem CID 107235485) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine
PubChem CID107235485
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESCn1cc(CNCCn2cccn2)c2ccccc21
InChIInChI=1S/C15H18N4/c1-18-12-13(14-5-2-3-6-15(14)18)11-16-8-10-19-9-4-7-17-19/h2-7,9,12,16H,8,10-11H2,1H3
InChIKeyVCMCWAWKNYITBM-UHFFFAOYSA-N
XLogP2.16
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119
N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 107236224
N'-methyl-N-[(1-methylindol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 107235630
2-cyclobutyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107236202
3-[(1-methylindol-3-yl)methylamino]propane-1-sulfonamide
CID 107235566
3-[(1-methylindol-3-yl)methylamino]-N-propylpropanamide
CID 107235569
2-(1H-indol-3-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine;hydrochloride
CID 171155113
3-(1H-imidazol-2-yl)-N-[(1-methylindol-3-yl)methyl]propan-1-amine
CID 107236269
N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 61070927
2-cyclohexyl-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235324
5-[(1-methylindol-3-yl)methylamino]pentanamide
CID 106233935

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine (CID 107235485) is N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine is Cn1cc(CNCCn2cccn2)c2ccccc21.
What is the InChIKey of N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is VCMCWAWKNYITBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-18-12-13(14-5-2-3-6-15(14)18)11-16-8-10-19-9-4-7-17-19/h2-7,9,12,16H,8,10-11H2,1H3.
What are the key properties of N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine?
N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 254.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 107235485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).