7-methoxy-2-(3,4,5-trimethylpyrazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

C17H23N3O — CID 79234962

IUPAC7-methoxy-2-(3,4,5-trimethylpyrazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)C(n1nc(C)c(C)c1C)CC2
InChIInChI=1S/C17H23N3O/c1-10-11(2)19-20(12(10)3)16-8-6-13-5-7-14(21-4)9-15(13)17(16)18/h5,7,9,16-17H,6,8,18H2,1-4H3
InChIKeyRAELYQCZPHRHEG-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.00
Rot. Bonds2

About 7-methoxy-2-(3,4,5-trimethylpyrazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

7-methoxy-2-(3,4,5-trimethylpyrazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79234962) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 7-methoxy-2-(3,4,5-trimethylpyrazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-methoxy-2-(3,4,5-trimethylpyrazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79234962
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name7-methoxy-2-(3,4,5-trimethylpyrazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)C(n1nc(C)c(C)c1C)CC2
InChIInChI=1S/C17H23N3O/c1-10-11(2)19-20(12(10)3)16-8-6-13-5-7-14(21-4)9-15(13)17(16)18/h5,7,9,16-17H,6,8,18H2,1-4H3
InChIKeyRAELYQCZPHRHEG-UHFFFAOYSA-N
XLogP3.00
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,4-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79234485
2-(3,5-dimethylpiperidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79230789
7-methoxy-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248446
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115559637
7-methoxy-2-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247673
(1R,2S)-2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66798065
7-methoxy-2-(4-methylazepan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79234946
2-(2,2-dimethylpyrrolidin-1-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247674
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 52911309
7-methoxy-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79237114
ethyl 2-[(1-amino-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)sulfanyl]acetate
CID 79248246

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(3,4,5-trimethylpyrazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-methoxy-2-(3,4,5-trimethylpyrazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79234962) is 7-methoxy-2-(3,4,5-trimethylpyrazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-methoxy-2-(3,4,5-trimethylpyrazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-methoxy-2-(3,4,5-trimethylpyrazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(N)C(n1nc(C)c(C)c1C)CC2.
What is the InChIKey of 7-methoxy-2-(3,4,5-trimethylpyrazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is RAELYQCZPHRHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-10-11(2)19-20(12(10)3)16-8-6-13-5-7-14(21-4)9-15(13)17(16)18/h5,7,9,16-17H,6,8,18H2,1-4H3.
What are the key properties of 7-methoxy-2-(3,4,5-trimethylpyrazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
7-methoxy-2-(3,4,5-trimethylpyrazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(3,4,5-trimethylpyrazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79234962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).