1-(4-methoxyphenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol

C13H17N3O2 — CID 79778765

IUPAC1-(4-methoxyphenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
SMILESCOc1ccc(C(O)CNc2ccn(C)n2)cc1
InChIInChI=1S/C13H17N3O2/c1-16-8-7-13(15-16)14-9-12(17)10-3-5-11(18-2)6-4-10/h3-8,12,17H,9H2,1-2H3,(H,14,15)
InChIKeyXGUPNZKSOPRBOC-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.57
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol

1-(4-methoxyphenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol (PubChem CID 79778765) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
PubChem CID79778765
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(4-methoxyphenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
SMILESCOc1ccc(C(O)CNc2ccn(C)n2)cc1
InChIInChI=1S/C13H17N3O2/c1-16-8-7-13(15-16)14-9-12(17)10-3-5-11(18-2)6-4-10/h3-8,12,17H,9H2,1-2H3,(H,14,15)
InChIKeyXGUPNZKSOPRBOC-UHFFFAOYSA-N
XLogP1.57
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methylpyrazol-3-yl)amino]-1-(4-methylsulfonylphenyl)ethanol
CID 79779592
1-(4-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
CID 79769854
(2R)-1-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106932300
1-(furan-2-yl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 79779478
1-(4-methylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79779688
(1R)-1-(4-methoxyphenyl)-2-(quinoxalin-2-ylamino)ethanol
CID 51943049
2-hydrazinyl-1-(4-methoxyphenyl)ethanol
CID 21361112
1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778676
3-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)propanamide
CID 18152521
1-(2-methoxyethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106990156
2-(4-methoxyphenoxy)-N-(1-methylpyrazol-3-yl)acetamide
CID 51228906
4-[2-hydroxy-3-[(1-methylpyrazol-3-yl)amino]propoxy]benzonitrile
CID 79778561

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol?
The IUPAC name of 1-(4-methoxyphenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol (CID 79778765) is 1-(4-methoxyphenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol is COc1ccc(C(O)CNc2ccn(C)n2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol?
The InChIKey is XGUPNZKSOPRBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16-8-7-13(15-16)14-9-12(17)10-3-5-11(18-2)6-4-10/h3-8,12,17H,9H2,1-2H3,(H,14,15).
What are the key properties of 1-(4-methoxyphenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol?
1-(4-methoxyphenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol has a molecular weight of 247.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol is sourced from PubChem (CID 79778765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).