1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]ethanol

C15H21N3O3 — CID 63001761

IUPAC1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]ethanol
SMILESCOc1ccc(OC)c(C(O)CNCc2ccnn2C)c1
InChIInChI=1S/C15H21N3O3/c1-18-11(6-7-17-18)9-16-10-14(19)13-8-12(20-2)4-5-15(13)21-3/h4-8,14,16,19H,9-10H2,1-3H3
InChIKeyBFKXOXHGNSWSHM-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.26
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]ethanol

1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]ethanol (PubChem CID 63001761) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]ethanol
PubChem CID63001761
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]ethanol
SMILESCOc1ccc(OC)c(C(O)CNCc2ccnn2C)c1
InChIInChI=1S/C15H21N3O3/c1-18-11(6-7-17-18)9-16-10-14(19)13-8-12(20-2)4-5-15(13)21-3/h4-8,14,16,19H,9-10H2,1-3H3
InChIKeyBFKXOXHGNSWSHM-UHFFFAOYSA-N
XLogP1.26
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43722056
(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol
CID 94809006
1-(2,4-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43674286
1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103031048
1-(2,5-dimethoxyphenyl)-2-[(3-fluoro-4-methoxyphenyl)methylamino]ethanol
CID 78871605
1-(2,5-dimethoxyphenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]ethanol
CID 110010175
6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol
CID 107851809
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol
CID 60896421
2-[(2-methylpyrazol-3-yl)methylamino]-1-thiophen-2-ylethanol
CID 63302557
1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965504
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]ethanol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]ethanol (CID 63001761) is 1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]ethanol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]ethanol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]ethanol is COc1ccc(OC)c(C(O)CNCc2ccnn2C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]ethanol?
The InChIKey is BFKXOXHGNSWSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-18-11(6-7-17-18)9-16-10-14(19)13-8-12(20-2)4-5-15(13)21-3/h4-8,14,16,19H,9-10H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]ethanol?
1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]ethanol has a molecular weight of 291.35 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]ethanol is sourced from PubChem (CID 63001761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).