1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine

C16H21N3 — CID 54896895

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCc1[nH]ncc1CNC(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H21N3/c1-11(17-9-16-10-18-19-12(16)2)14-7-6-13-4-3-5-15(13)8-14/h6-8,10-11,17H,3-5,9H2,1-2H3,(H,18,19)
InChIKeyZEXSUUOOHPSJIG-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.06
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine

1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 54896895) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID54896895
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCc1[nH]ncc1CNC(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H21N3/c1-11(17-9-16-10-18-19-12(16)2)14-7-6-13-4-3-5-15(13)8-14/h6-8,10-11,17H,3-5,9H2,1-2H3,(H,18,19)
InChIKeyZEXSUUOOHPSJIG-UHFFFAOYSA-N
XLogP3.06
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine (CID 54896895) is 1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine is Cc1[nH]ncc1CNC(C)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is ZEXSUUOOHPSJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11(17-9-16-10-18-19-12(16)2)14-7-6-13-4-3-5-15(13)8-14/h6-8,10-11,17H,3-5,9H2,1-2H3,(H,18,19).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 255.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 54896895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).