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

C16H23N3O2 — CID 82873087

IUPAC1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
SMILESCc1ccc(OCC(O)CNCc2ccn(C)n2)c(C)c1
InChIInChI=1S/C16H23N3O2/c1-12-4-5-16(13(2)8-12)21-11-15(20)10-17-9-14-6-7-19(3)18-14/h4-8,15,17,20H,9-11H2,1-3H3
InChIKeyKVJLJLMAQYEPEW-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.57
Rot. Bonds7

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

1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol (PubChem CID 82873087) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
PubChem CID82873087
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
SMILESCc1ccc(OCC(O)CNCc2ccn(C)n2)c(C)c1
InChIInChI=1S/C16H23N3O2/c1-12-4-5-16(13(2)8-12)21-11-15(20)10-17-9-14-6-7-19(3)18-14/h4-8,15,17,20H,9-11H2,1-3H3
InChIKeyKVJLJLMAQYEPEW-UHFFFAOYSA-N
XLogP1.57
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778480
1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
CID 16637006
1-(2,4-dimethylphenoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633896
2-[2-hydroxy-3-[(1-methylpyrazol-3-yl)methylamino]propoxy]benzonitrile
CID 82873099
1-(2,4-dimethylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61043492
ethyl 3-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]butanoate
CID 103261820
1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 82882583
3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]-2,2-difluoropropan-1-ol
CID 106176538
1-(2,4-dimethylphenoxy)-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethylamino]propan-2-ol
CID 167860035
1-(2,4-dimethylphenoxy)-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propan-2-ol
CID 115454663
3-[(2,4-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330904
1-(2,4-dimethylphenoxy)-3-(hex-5-ynylamino)propan-2-ol
CID 106211708

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol (CID 82873087) is 1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol is Cc1ccc(OCC(O)CNCc2ccn(C)n2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol?
The InChIKey is KVJLJLMAQYEPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-4-5-16(13(2)8-12)21-11-15(20)10-17-9-14-6-7-19(3)18-14/h4-8,15,17,20H,9-11H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol?
1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol has a molecular weight of 289.38 g/mol, XLogP of 1.57, 7 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)methylamino]propan-2-ol is sourced from PubChem (CID 82873087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).