N-ethyl-2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

C18H25N3 — CID 82868525

IUPACN-ethyl-2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)C1CCCc2ccccc21
InChIInChI=1S/C18H25N3/c1-3-19-18(13-15-11-12-21(2)20-15)17-10-6-8-14-7-4-5-9-16(14)17/h4-5,7,9,11-12,17-19H,3,6,8,10,13H2,1-2H3
InChIKeyCBGAOFITUNVFGG-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.06
Rot. Bonds5

About N-ethyl-2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

N-ethyl-2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (PubChem CID 82868525) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-ethyl-2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
PubChem CID82868525
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-ethyl-2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)C1CCCc2ccccc21
InChIInChI=1S/C18H25N3/c1-3-19-18(13-15-11-12-21(2)20-15)17-10-6-8-14-7-4-5-9-16(14)17/h4-5,7,9,11-12,17-19H,3,6,8,10,13H2,1-2H3
InChIKeyCBGAOFITUNVFGG-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82878113
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79824813
1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877822
2-cyclopentyl-N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63418635
N-[2,3-dihydro-1H-inden-1-yl-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103130973
N-ethyl-2-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 79575553
1-(2-adamantyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025491
[(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]hydrazine
CID 103140093
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 107004877
N-ethyl-2-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 55175096
N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107049594
1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877542

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The IUPAC name of N-ethyl-2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (CID 82868525) is N-ethyl-2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is CCNC(Cc1ccn(C)n1)C1CCCc2ccccc21.
What is the InChIKey of N-ethyl-2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The InChIKey is CBGAOFITUNVFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-19-18(13-15-11-12-21(2)20-15)17-10-6-8-14-7-4-5-9-16(14)17/h4-5,7,9,11-12,17-19H,3,6,8,10,13H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 82868525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).