(1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine

C15H21N3O — CID 104939439

IUPAC(1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCCn1nccc1CN[C@H](C)c1ccccc1OC
InChIInChI=1S/C15H21N3O/c1-4-18-13(9-10-17-18)11-16-12(2)14-7-5-6-8-15(14)19-3/h5-10,12,16H,4,11H2,1-3H3/t12-/m1/s1
InChIKeyRUNMZEYDOFSUTJ-GFCCVEGCSA-N
MW259.35 g/mol
LogP2.76
Rot. Bonds6

About (1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine

(1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine (PubChem CID 104939439) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
PubChem CID104939439
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCCn1nccc1CN[C@H](C)c1ccccc1OC
InChIInChI=1S/C15H21N3O/c1-4-18-13(9-10-17-18)11-16-12(2)14-7-5-6-8-15(14)19-3/h5-10,12,16H,4,11H2,1-3H3/t12-/m1/s1
InChIKeyRUNMZEYDOFSUTJ-GFCCVEGCSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115761519
(1R)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81387532
N-[(2-ethylpyrazol-3-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115762173
1-(2,4-dimethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115761847
1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114554830
(1S)-N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 104939449
(2R)-N-[(2-ethylpyrazol-3-yl)methyl]-3-methylbutan-2-amine
CID 97358257
1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682134
(1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28624444
N-[(2-ethylpyrazol-3-yl)methyl]hexan-2-amine
CID 114555701
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
1-(2-ethylpyrazol-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 63977212

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine (CID 104939439) is (1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine is CCn1nccc1CN[C@H](C)c1ccccc1OC.
What is the InChIKey of (1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
The InChIKey is RUNMZEYDOFSUTJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-18-13(9-10-17-18)11-16-12(2)14-7-5-6-8-15(14)19-3/h5-10,12,16H,4,11H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
(1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-ethylpyrazol-3-yl)methyl]-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 104939439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).