1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol

C15H21N3O2 — CID 79778480

IUPAC1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
SMILESCc1ccc(OCC(O)CNc2ccn(C)n2)c(C)c1
InChIInChI=1S/C15H21N3O2/c1-11-4-5-14(12(2)8-11)20-10-13(19)9-16-15-6-7-18(3)17-15/h4-8,13,19H,9-10H2,1-3H3,(H,16,17)
InChIKeyGBLIUXXFCHXHNA-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.89
Rot. Bonds6

About 1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol

1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol (PubChem CID 79778480) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
PubChem CID79778480
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
SMILESCc1ccc(OCC(O)CNc2ccn(C)n2)c(C)c1
InChIInChI=1S/C15H21N3O2/c1-11-4-5-14(12(2)8-11)20-10-13(19)9-16-15-6-7-18(3)17-15/h4-8,13,19H,9-10H2,1-3H3,(H,16,17)
InChIKeyGBLIUXXFCHXHNA-UHFFFAOYSA-N
XLogP1.89
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79779688
1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 82873087
1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
CID 16637006
1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778676
1-(2,6-dichlorophenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79779274
1-(4-bromoanilino)-3-(2,4-dimethylphenoxy)propan-2-ol
CID 60897977
4-[2-hydroxy-3-[(1-methylpyrazol-3-yl)amino]propoxy]benzonitrile
CID 79778561
1-(2-methoxyethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106990156
(2S)-1-(2,4-dimethylphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 7013004
1-bromo-3-(2,4-dimethylphenoxy)propan-2-ol
CID 112560473
(2R)-1-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106932300
1-(2,4-dimethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83021283

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
The IUPAC name of 1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol (CID 79778480) is 1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol is Cc1ccc(OCC(O)CNc2ccn(C)n2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
The InChIKey is GBLIUXXFCHXHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-4-5-14(12(2)8-11)20-10-13(19)9-16-15-6-7-18(3)17-15/h4-8,13,19H,9-10H2,1-3H3,(H,16,17).
What are the key properties of 1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol has a molecular weight of 275.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol is sourced from PubChem (CID 79778480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).