2-[2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]ethanol

C17H25N3O2 — CID 111457798

IUPAC2-[2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]ethanol
SMILESCCn1nc(C)c(CNCc2ccccc2OCCO)c1C
InChIInChI=1S/C17H25N3O2/c1-4-20-14(3)16(13(2)19-20)12-18-11-15-7-5-6-8-17(15)22-10-9-21/h5-8,18,21H,4,9-12H2,1-3H3
InChIKeyQGFHJCOZTUQJKW-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.18
Rot. Bonds8

About 2-[2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]ethanol

2-[2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]ethanol (PubChem CID 111457798) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]ethanol
PubChem CID111457798
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]ethanol
SMILESCCn1nc(C)c(CNCc2ccccc2OCCO)c1C
InChIInChI=1S/C17H25N3O2/c1-4-20-14(3)16(13(2)19-20)12-18-11-15-7-5-6-8-17(15)22-10-9-21/h5-8,18,21H,4,9-12H2,1-3H3
InChIKeyQGFHJCOZTUQJKW-UHFFFAOYSA-N
XLogP2.18
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-prop-2-enoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 78989678
N-[[2-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62440443
1-[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 124542687
2-[2-[[(2-ethyl-1-benzofuran-3-yl)methylamino]methyl]phenoxy]ethanol
CID 111457839
2-[4-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 47615988
2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol
CID 102444898
2-[2-[[(2,3-difluorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457847
2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457786
2-[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenoxy]ethanol
CID 111457794
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol;hydrochloride
CID 115614115
1-(2-methylphenyl)-N-[(2-pentoxyphenyl)methyl]methanamine
CID 54803563
N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 62453952

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]ethanol (CID 111457798) is 2-[2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]ethanol is CCn1nc(C)c(CNCc2ccccc2OCCO)c1C.
What is the InChIKey of 2-[2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]ethanol?
The InChIKey is QGFHJCOZTUQJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-20-14(3)16(13(2)19-20)12-18-11-15-7-5-6-8-17(15)22-10-9-21/h5-8,18,21H,4,9-12H2,1-3H3.
What are the key properties of 2-[2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]ethanol?
2-[2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]ethanol has a molecular weight of 303.41 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenoxy]ethanol is sourced from PubChem (CID 111457798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).