7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C16H21N3O — CID 103905252

IUPAC7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NC(C)c1cn[nH]c1)CC2
InChIInChI=1S/C16H21N3O/c1-11(14-9-17-18-10-14)19-15-5-3-12-4-6-16(20-2)8-13(12)7-15/h4,6,8-11,15,19H,3,5,7H2,1-2H3,(H,17,18)
InChIKeyZIKVMFWDYFDUDZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.63
Rot. Bonds4

About 7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine

7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 103905252) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID103905252
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NC(C)c1cn[nH]c1)CC2
InChIInChI=1S/C16H21N3O/c1-11(14-9-17-18-10-14)19-15-5-3-12-4-6-16(20-2)8-13(12)7-15/h4,6,8-11,15,19H,3,5,7H2,1-2H3,(H,17,18)
InChIKeyZIKVMFWDYFDUDZ-UHFFFAOYSA-N
XLogP2.63
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510289
7-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510216
7-methoxy-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510335
7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103905307
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81367851
N-[(1S)-1-cyclohexylethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510632
3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutan-1-amine
CID 106209304
7-methoxy-N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510559
7-methoxy-N-(1-methylsulfanylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115901665
7-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510447
1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine
CID 103905191
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 106209383

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 103905252) is 7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)CC(NC(C)c1cn[nH]c1)CC2.
What is the InChIKey of 7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is ZIKVMFWDYFDUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(14-9-17-18-10-14)19-15-5-3-12-4-6-16(20-2)8-13(12)7-15/h4,6,8-11,15,19H,3,5,7H2,1-2H3,(H,17,18).
What are the key properties of 7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 271.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 103905252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).