2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol

C15H21N3O2 — CID 111117940

IUPAC2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol
SMILESCCn1cc(CNCC(O)c2cccc(OC)c2)cn1
InChIInChI=1S/C15H21N3O2/c1-3-18-11-12(9-17-18)8-16-10-15(19)13-5-4-6-14(7-13)20-2/h4-7,9,11,15-16,19H,3,8,10H2,1-2H3
InChIKeyLZGHELYANZFTEJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.73
Rot. Bonds7

About 2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol

2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol (PubChem CID 111117940) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol
PubChem CID111117940
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol
SMILESCCn1cc(CNCC(O)c2cccc(OC)c2)cn1
InChIInChI=1S/C15H21N3O2/c1-3-18-11-12(9-17-18)8-16-10-15(19)13-5-4-6-14(7-13)20-2/h4-7,9,11,15-16,19H,3,8,10H2,1-2H3
InChIKeyLZGHELYANZFTEJ-UHFFFAOYSA-N
XLogP1.73
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanol
CID 81134031
2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol
CID 116802474
1-(3-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 62127843
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 81134929
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol
CID 115780549
[(1-ethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105191655
1-(3-methoxyphenyl)-2-[(4-methyl-3-pyridinyl)methylamino]ethanol
CID 114955555
1-(3-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 81134991
1-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanol
CID 78954160
2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66060151
1-(3-methoxyphenyl)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]ethanol
CID 119128834

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol (CID 111117940) is 2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol is CCn1cc(CNCC(O)c2cccc(OC)c2)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol?
The InChIKey is LZGHELYANZFTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-18-11-12(9-17-18)8-16-10-15(19)13-5-4-6-14(7-13)20-2/h4-7,9,11,15-16,19H,3,8,10H2,1-2H3.
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol?
2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol has a molecular weight of 275.35 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 111117940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).