1-(2,5-dimethoxyphenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]ethanol

C17H25N3O3 — CID 110010175

IUPAC1-(2,5-dimethoxyphenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]ethanol
SMILESCOc1ccc(OC)c(C(O)CNC(C)c2cnn(C)c2C)c1
InChIInChI=1S/C17H25N3O3/c1-11(15-9-19-20(3)12(15)2)18-10-16(21)14-8-13(22-4)6-7-17(14)23-5/h6-9,11,16,18,21H,10H2,1-5H3
InChIKeyXBFRUPGPSJNNGL-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.13
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]ethanol

1-(2,5-dimethoxyphenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]ethanol (PubChem CID 110010175) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]ethanol
PubChem CID110010175
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]ethanol
SMILESCOc1ccc(OC)c(C(O)CNC(C)c2cnn(C)c2C)c1
InChIInChI=1S/C17H25N3O3/c1-11(15-9-19-20(3)12(15)2)18-10-16(21)14-8-13(22-4)6-7-17(14)23-5/h6-9,11,16,18,21H,10H2,1-5H3
InChIKeyXBFRUPGPSJNNGL-UHFFFAOYSA-N
XLogP2.13
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2,5-dimethoxyphenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105145779
1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 61463357
1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol
CID 110897338
4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2,6-dimethoxyphenol
CID 19625137
1-(2,5-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylamino]ethanol
CID 63001761
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methoxy-2-methylpropan-1-amine
CID 115970779
2-[4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-2-methoxyphenoxy]ethanol
CID 110010225
3-[1-(2,5-dimethoxyphenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103778618
3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol
CID 115970555
1-(2,5-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43722056
1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-ethylpentan-2-ol
CID 110010526
1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 95129214

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]ethanol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]ethanol (CID 110010175) is 1-(2,5-dimethoxyphenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]ethanol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]ethanol is COc1ccc(OC)c(C(O)CNC(C)c2cnn(C)c2C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]ethanol?
The InChIKey is XBFRUPGPSJNNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11(15-9-19-20(3)12(15)2)18-10-16(21)14-8-13(22-4)6-7-17(14)23-5/h6-9,11,16,18,21H,10H2,1-5H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]ethanol?
1-(2,5-dimethoxyphenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]ethanol has a molecular weight of 319.41 g/mol, XLogP of 2.13, 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-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]ethanol is sourced from PubChem (CID 110010175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).