(1R)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine

C15H21N3O — CID 79025610

IUPAC(1R)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine
SMILESCCn1nc(C)cc1COc1ccccc1[C@@H](C)N
InChIInChI=1S/C15H21N3O/c1-4-18-13(9-11(2)17-18)10-19-15-8-6-5-7-14(15)12(3)16/h5-9,12H,4,10,16H2,1-3H3/t12-/m1/s1
InChIKeyOIECIHLACZJNSW-GFCCVEGCSA-N
MW259.35 g/mol
LogP2.81
Rot. Bonds5

About (1R)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine

(1R)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine (PubChem CID 79025610) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (1R)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine
PubChem CID79025610
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(1R)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine
SMILESCCn1nc(C)cc1COc1ccccc1[C@@H](C)N
InChIInChI=1S/C15H21N3O/c1-4-18-13(9-11(2)17-18)10-19-15-8-6-5-7-14(15)12(3)16/h5-9,12H,4,10,16H2,1-3H3/t12-/m1/s1
InChIKeyOIECIHLACZJNSW-GFCCVEGCSA-N
XLogP2.81
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]propan-1-ol
CID 79025693
(1S)-1-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-methylphenyl]ethanamine
CID 79025599
(1S)-1-[5-bromo-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79025659
(2-ethoxyphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methanamine
CID 105145003
(1S)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66142329
5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole
CID 83057632
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 78936450
3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methylbenzonitrile
CID 107663258
1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002556
(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanamine
CID 30079943
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 79420760
4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one
CID 82442775

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine (CID 79025610) is (1R)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine is CCn1nc(C)cc1COc1ccccc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine?
The InChIKey is OIECIHLACZJNSW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-18-13(9-11(2)17-18)10-19-15-8-6-5-7-14(15)12(3)16/h5-9,12H,4,10,16H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine?
(1R)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 79025610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).