5-[2-(1-methylpyrazol-4-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine

C16H21N3O — CID 102999836

IUPAC5-[2-(1-methylpyrazol-4-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCn1cc(CCOc2cccc3c2CCCC3N)cn1
InChIInChI=1S/C16H21N3O/c1-19-11-12(10-18-19)8-9-20-16-7-3-4-13-14(16)5-2-6-15(13)17/h3-4,7,10-11,15H,2,5-6,8-9,17H2,1H3
InChIKeyQCUNBPIXRDAYNF-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.38
Rot. Bonds4

About 5-[2-(1-methylpyrazol-4-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine

5-[2-(1-methylpyrazol-4-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 102999836) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-[2-(1-methylpyrazol-4-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-[2-(1-methylpyrazol-4-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID102999836
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-[2-(1-methylpyrazol-4-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCn1cc(CCOc2cccc3c2CCCC3N)cn1
InChIInChI=1S/C16H21N3O/c1-19-11-12(10-18-19)8-9-20-16-7-3-4-13-14(16)5-2-6-15(13)17/h3-4,7,10-11,15H,2,5-6,8-9,17H2,1H3
InChIKeyQCUNBPIXRDAYNF-UHFFFAOYSA-N
XLogP2.38
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 162767640
5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454391
5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113436812
5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454398
4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol
CID 79360240
5-[2-(trifluoromethylsulfanyl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 116615123
5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106437029
5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456111
5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 70349932
1-methyl-4-[2-(2-propan-2-ylphenoxy)ethyl]pyrazole
CID 103016128
5-[(5-bromo-2-pyridinyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104796375
5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455719

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylpyrazol-4-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-[2-(1-methylpyrazol-4-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 102999836) is 5-[2-(1-methylpyrazol-4-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-[2-(1-methylpyrazol-4-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-[2-(1-methylpyrazol-4-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is Cn1cc(CCOc2cccc3c2CCCC3N)cn1.
What is the InChIKey of 5-[2-(1-methylpyrazol-4-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is QCUNBPIXRDAYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19-11-12(10-18-19)8-9-20-16-7-3-4-13-14(16)5-2-6-15(13)17/h3-4,7,10-11,15H,2,5-6,8-9,17H2,1H3.
What are the key properties of 5-[2-(1-methylpyrazol-4-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
5-[2-(1-methylpyrazol-4-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylpyrazol-4-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 102999836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).