5-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole

C16H20N2O — CID 82089026

IUPAC5-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole
SMILESCc1cc(CCOc2ccc3c(c2)CCCC3)n[nH]1
InChIInChI=1S/C16H20N2O/c1-12-10-15(18-17-12)8-9-19-16-7-6-13-4-2-3-5-14(13)11-16/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyBAYKKUUFAROQDI-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.22
Rot. Bonds4

About 5-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole

5-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole (PubChem CID 82089026) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole
PubChem CID82089026
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name5-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole
SMILESCc1cc(CCOc2ccc3c(c2)CCCC3)n[nH]1
InChIInChI=1S/C16H20N2O/c1-12-10-15(18-17-12)8-9-19-16-7-6-13-4-2-3-5-14(13)11-16/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyBAYKKUUFAROQDI-UHFFFAOYSA-N
XLogP3.22
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole 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

5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrazol-3-amine
CID 82085160
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 25285334
3,5-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 113101627
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium
CID 7380399
5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663
N,N-diethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 10490742
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-methylimidazole
CID 82084910
2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101573
6-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-1H-indole
CID 91088145
5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one
CID 43793468
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylaniline
CID 62599410

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole?
The IUPAC name of 5-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole (CID 82089026) is 5-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole.
What is the SMILES notation for 5-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole?
The canonical SMILES for 5-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole is Cc1cc(CCOc2ccc3c(c2)CCCC3)n[nH]1.
What is the InChIKey of 5-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole?
The InChIKey is BAYKKUUFAROQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-10-15(18-17-12)8-9-19-16-7-6-13-4-2-3-5-14(13)11-16/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,18).
What are the key properties of 5-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole?
5-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole has a molecular weight of 256.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole is sourced from PubChem (CID 82089026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).