N-ethyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine

C18H21N3 — CID 82868513

IUPACN-ethyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine
SMILESCCNC(Cc1ccn(C)n1)c1cccc2ccccc12
InChIInChI=1S/C18H21N3/c1-3-19-18(13-15-11-12-21(2)20-15)17-10-6-8-14-7-4-5-9-16(14)17/h4-12,18-19H,3,13H2,1-2H3
InChIKeyOGJIQSHQAMGBAU-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.47
Rot. Bonds5

About N-ethyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine

N-ethyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine (PubChem CID 82868513) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-ethyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine
PubChem CID82868513
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-ethyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine
SMILESCCNC(Cc1ccn(C)n1)c1cccc2ccccc12
InChIInChI=1S/C18H21N3/c1-3-19-18(13-15-11-12-21(2)20-15)17-10-6-8-14-7-4-5-9-16(14)17/h4-12,18-19H,3,13H2,1-2H3
InChIKeyOGJIQSHQAMGBAU-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine
CID 82876005
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876321
N-ethyl-2-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 105025280
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82878097
N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
CID 82878256
1-(2,5-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025629
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105025325
1-(3-ethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876306
1-(5-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 114886305
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105175123
1-(4-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877800
1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025394

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine?
The IUPAC name of N-ethyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine (CID 82868513) is N-ethyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine.
What is the SMILES notation for N-ethyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine?
The canonical SMILES for N-ethyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine is CCNC(Cc1ccn(C)n1)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine?
The InChIKey is OGJIQSHQAMGBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-3-19-18(13-15-11-12-21(2)20-15)17-10-6-8-14-7-4-5-9-16(14)17/h4-12,18-19H,3,13H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine?
N-ethyl-2-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylethanamine has a molecular weight of 279.39 g/mol, XLogP of 3.47, 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-naphthalen-1-ylethanamine is sourced from PubChem (CID 82868513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).