N-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C18H25N3 — CID 103004433

IUPACN-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2CCC1CCc1cnn(C)c1
InChIInChI=1S/C18H25N3/c1-3-19-18-16(9-8-14-12-20-21(2)13-14)11-10-15-6-4-5-7-17(15)18/h4-7,12-13,16,18-19H,3,8-11H2,1-2H3
InChIKeyMISCPZOBMFGYOV-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.27
Rot. Bonds5

About N-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 103004433) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID103004433
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2CCC1CCc1cnn(C)c1
InChIInChI=1S/C18H25N3/c1-3-19-18-16(9-8-14-12-20-21(2)13-14)11-10-15-6-4-5-7-17(15)18/h4-7,12-13,16,18-19H,3,8-11H2,1-2H3
InChIKeyMISCPZOBMFGYOV-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62126210
N-ethyl-2-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63773845
4-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole
CID 55040438
1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010749
N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626278
6-butyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403512
N-ethyl-2-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63403548
[3-(1-methylpyrazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]hydrazine
CID 103025799
N-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64627978
N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 103019952
N-ethyl-2-ethylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64646782
N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60664575

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 103004433) is N-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CCNC1c2ccccc2CCC1CCc1cnn(C)c1.
What is the InChIKey of N-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is MISCPZOBMFGYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-19-18-16(9-8-14-12-20-21(2)13-14)11-10-15-6-4-5-7-17(15)18/h4-7,12-13,16,18-19H,3,8-11H2,1-2H3.
What are the key properties of N-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 103004433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).