N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine

C15H19N3 — CID 134794391

IUPACN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCN(Cc1ccnn1C)C1CCc2ccccc21
InChIInChI=1S/C15H19N3/c1-17(11-13-9-10-16-18(13)2)15-8-7-12-5-3-4-6-14(12)15/h3-6,9-10,15H,7-8,11H2,1-2H3
InChIKeyKSPHMTSBIKAYDF-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.54
Rot. Bonds3

About N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine

N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 134794391) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID134794391
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCN(Cc1ccnn1C)C1CCc2ccccc21
InChIInChI=1S/C15H19N3/c1-17(11-13-9-10-16-18(13)2)15-8-7-12-5-3-4-6-14(12)15/h3-6,9-10,15H,7-8,11H2,1-2H3
InChIKeyKSPHMTSBIKAYDF-UHFFFAOYSA-N
XLogP2.54
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 134794391) is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine is CN(Cc1ccnn1C)C1CCc2ccccc21.
What is the InChIKey of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is KSPHMTSBIKAYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-17(11-13-9-10-16-18(13)2)15-8-7-12-5-3-4-6-14(12)15/h3-6,9-10,15H,7-8,11H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 134794391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).