1-(2,5-dimethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanamine

C15H21N3O2 — CID 115822910

IUPAC1-(2,5-dimethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCn1cc(CC(N)c2cc(OC)ccc2OC)cn1
InChIInChI=1S/C15H21N3O2/c1-4-18-10-11(9-17-18)7-14(16)13-8-12(19-2)5-6-15(13)20-3/h5-6,8-10,14H,4,7,16H2,1-3H3
InChIKeyQVNVOXOMAPGLKZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.16
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanamine

1-(2,5-dimethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanamine (PubChem CID 115822910) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanamine
PubChem CID115822910
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCn1cc(CC(N)c2cc(OC)ccc2OC)cn1
InChIInChI=1S/C15H21N3O2/c1-4-18-10-11(9-17-18)7-14(16)13-8-12(19-2)5-6-15(13)20-3/h5-6,8-10,14H,4,7,16H2,1-3H3
InChIKeyQVNVOXOMAPGLKZ-UHFFFAOYSA-N
XLogP2.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 62126980
1-(2,5-dimethoxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 82066787
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764
1-(5-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822181
1-(3-bromo-4-methoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 63894409
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methoxyphenyl]ethanol
CID 82001952
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 6464996
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66060151
1-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 104604552
1-(2,6-dimethyl-4-pyridinyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107503308
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanamine (CID 115822910) is 1-(2,5-dimethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanamine is CCn1cc(CC(N)c2cc(OC)ccc2OC)cn1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanamine?
The InChIKey is QVNVOXOMAPGLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-18-10-11(9-17-18)7-14(16)13-8-12(19-2)5-6-15(13)20-3/h5-6,8-10,14H,4,7,16H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanamine?
1-(2,5-dimethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanamine has a molecular weight of 275.35 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 115822910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).