2-(2-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine

C17H23N3 — CID 103006067

IUPAC2-(2-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
SMILESCn1nccc1CCNCC1CCCc2ccccc21
InChIInChI=1S/C17H23N3/c1-20-16(10-12-19-20)9-11-18-13-15-7-4-6-14-5-2-3-8-17(14)15/h2-3,5,8,10,12,15,18H,4,6-7,9,11,13H2,1H3
InChIKeyHZPACHGIAIMSRY-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.67
Rot. Bonds5

About 2-(2-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine

2-(2-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine (PubChem CID 103006067) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
PubChem CID103006067
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-(2-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
SMILESCn1nccc1CCNCC1CCCc2ccccc21
InChIInChI=1S/C17H23N3/c1-20-16(10-12-19-20)9-11-18-13-15-7-4-6-14-5-2-3-8-17(14)15/h2-3,5,8,10,12,15,18H,4,6-7,9,11,13H2,1H3
InChIKeyHZPACHGIAIMSRY-UHFFFAOYSA-N
XLogP2.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.67
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

2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 114505328
5-[2-(5-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)ethyl]-1-methylpyrazole
CID 103013891
3-(2-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 103007449
2-(3-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 63771762
3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
CID 63771754
2-(oxolan-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 55243439
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694435
6-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)hexan-1-ol
CID 107851787
N-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103001171
N-[(1-methylpyrrolidin-2-yl)methyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 106025341
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine
CID 63770878
N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 103000564

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine (CID 103006067) is 2-(2-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine is Cn1nccc1CCNCC1CCCc2ccccc21.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine?
The InChIKey is HZPACHGIAIMSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-20-16(10-12-19-20)9-11-18-13-15-7-4-6-14-5-2-3-8-17(14)15/h2-3,5,8,10,12,15,18H,4,6-7,9,11,13H2,1H3.
What are the key properties of 2-(2-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine?
2-(2-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine is sourced from PubChem (CID 103006067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).