(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine

C15H21N3O — CID 103001791

IUPAC(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
SMILESCOc1cccc([C@@H](C)NCCc2cnn(C)c2)c1
InChIInChI=1S/C15H21N3O/c1-12(14-5-4-6-15(9-14)19-3)16-8-7-13-10-17-18(2)11-13/h4-6,9-12,16H,7-8H2,1-3H3/t12-/m1/s1
InChIKeyXRCOVGNOWFEFCJ-GFCCVEGCSA-N
MW259.35 g/mol
LogP2.32
Rot. Bonds6

About (1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine

(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine (PubChem CID 103001791) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
PubChem CID103001791
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
SMILESCOc1cccc([C@@H](C)NCCc2cnn(C)c2)c1
InChIInChI=1S/C15H21N3O/c1-12(14-5-4-6-15(9-14)19-3)16-8-7-13-10-17-18(2)11-13/h4-6,9-12,16H,7-8H2,1-3H3/t12-/m1/s1
InChIKeyXRCOVGNOWFEFCJ-GFCCVEGCSA-N
XLogP2.32
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 60945948
(1R)-1-(4-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001765
1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol
CID 81134031
1-[1-(3-methoxyphenyl)ethyl]-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine
CID 122142087
5-methoxy-2-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenol
CID 80682269
N-[1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60888002
1-(3,4-dimethylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682865
N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43191768
[1-(3-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105191715
N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492453
1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682464
1-(3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63328676

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine (CID 103001791) is (1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine is COc1cccc([C@@H](C)NCCc2cnn(C)c2)c1.
What is the InChIKey of (1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine?
The InChIKey is XRCOVGNOWFEFCJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(14-5-4-6-15(9-14)19-3)16-8-7-13-10-17-18(2)11-13/h4-6,9-12,16H,7-8H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine?
(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 103001791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).