2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C18H25N3 — CID 105107040

IUPAC2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1C(N)CC1CCCc2ccccc21
InChIInChI=1S/C18H25N3/c1-12-18(13(2)21(3)20-12)17(19)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-5,7,10,15,17H,6,8-9,11,19H2,1-3H3
InChIKeyPGBODZXDJGMLRW-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.55
Rot. Bonds3

About 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 105107040) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID105107040
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1C(N)CC1CCCc2ccccc21
InChIInChI=1S/C18H25N3/c1-12-18(13(2)21(3)20-12)17(19)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-5,7,10,15,17H,6,8-9,11,19H2,1-3H3
InChIKeyPGBODZXDJGMLRW-UHFFFAOYSA-N
XLogP3.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 105106898
1-(2-methylcyclopropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 65420172
1-[3,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazol-4-yl]ethanol
CID 63771143
4-(1-chloroethyl)-3,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrazole
CID 63771481
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(2-bromo-6-fluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 114886807
1-(4-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 115813113
2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105152416
1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 103405354
1-(4-fluoro-2-methylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 81270071
1-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 63772832
1-(2-methylcyclopentyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 107192023

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 105107040) is 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1nn(C)c(C)c1C(N)CC1CCCc2ccccc21.
What is the InChIKey of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is PGBODZXDJGMLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-12-18(13(2)21(3)20-12)17(19)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-5,7,10,15,17H,6,8-9,11,19H2,1-3H3.
What are the key properties of 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105107040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).