1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine

C15H20N4 — CID 55204405

IUPAC1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCN1CCc2cc(CNCc3ccnn3C)ccc21
InChIInChI=1S/C15H20N4/c1-18-8-6-13-9-12(3-4-15(13)18)10-16-11-14-5-7-17-19(14)2/h3-5,7,9,16H,6,8,10-11H2,1-2H3
InChIKeyRMTFWECSDGJWKS-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.70
Rot. Bonds4

About 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine

1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine (PubChem CID 55204405) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
PubChem CID55204405
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCN1CCc2cc(CNCc3ccnn3C)ccc21
InChIInChI=1S/C15H20N4/c1-18-8-6-13-9-12(3-4-15(13)18)10-16-11-14-5-7-17-19(14)2/h3-5,7,9,16H,6,8,10-11H2,1-2H3
InChIKeyRMTFWECSDGJWKS-UHFFFAOYSA-N
XLogP1.70
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884310
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(3-methylphenyl)methyl]methanamine
CID 62094945
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 102673240
1-(1-methyl-2,3-dihydroindol-5-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 63247710
1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19618976
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 62070317
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694435
3-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904073
N-[(2-chlorophenyl)methyl]-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 62097009
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 62070504
1-methyl-5-propyl-2,3-dihydroindole
CID 89046240
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-4-ylmethanamine
CID 19626583

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine (CID 55204405) is 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine is CN1CCc2cc(CNCc3ccnn3C)ccc21.
What is the InChIKey of 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The InChIKey is RMTFWECSDGJWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-18-8-6-13-9-12(3-4-15(13)18)10-16-11-14-5-7-17-19(14)2/h3-5,7,9,16H,6,8,10-11H2,1-2H3.
What are the key properties of 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine has a molecular weight of 256.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 55204405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).