N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methylpyrazol-3-yl)ethanamine

C16H21N3 — CID 104694435

IUPACN-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methylpyrazol-3-yl)ethanamine
SMILESCn1nccc1CCNCc1ccc2c(c1)CCC2
InChIInChI=1S/C16H21N3/c1-19-16(8-10-18-19)7-9-17-12-13-5-6-14-3-2-4-15(14)11-13/h5-6,8,10-11,17H,2-4,7,9,12H2,1H3
InChIKeyZAVKRXQKQBAVQK-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.24
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methylpyrazol-3-yl)ethanamine

N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 104694435) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methylpyrazol-3-yl)ethanamine
PubChem CID104694435
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methylpyrazol-3-yl)ethanamine
SMILESCn1nccc1CCNCc1ccc2c(c1)CCC2
InChIInChI=1S/C16H21N3/c1-19-16(8-10-18-19)7-9-17-12-13-5-6-14-3-2-4-15(14)11-13/h5-6,8,10-11,17H,2-4,7,9,12H2,1H3
InChIKeyZAVKRXQKQBAVQK-UHFFFAOYSA-N
XLogP2.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694342
N-[(3-bromophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694451
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 113442257
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 65446546
N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694398
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694574
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 55204405
2-(2-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 103006067
2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 104694287
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
CID 115195816
2-(2-methylpyrazol-3-yl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
CID 104694562

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methylpyrazol-3-yl)ethanamine (CID 104694435) is N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methylpyrazol-3-yl)ethanamine is Cn1nccc1CCNCc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is ZAVKRXQKQBAVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19-16(8-10-18-19)7-9-17-12-13-5-6-14-3-2-4-15(14)11-13/h5-6,8,10-11,17H,2-4,7,9,12H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methylpyrazol-3-yl)ethanamine?
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 255.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104694435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).