1-(2,6-dichlorophenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol

C13H15Cl2N3O2 — CID 79779274

IUPAC1-(2,6-dichlorophenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
SMILESCn1ccc(NCC(O)COc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H15Cl2N3O2/c1-18-6-5-12(17-18)16-7-9(19)8-20-13-10(14)3-2-4-11(13)15/h2-6,9,19H,7-8H2,1H3,(H,16,17)
InChIKeyGEPIXACTXONZHA-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.58
Rot. Bonds6

About 1-(2,6-dichlorophenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol

1-(2,6-dichlorophenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol (PubChem CID 79779274) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is 1-(2,6-dichlorophenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
PubChem CID79779274
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name1-(2,6-dichlorophenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
SMILESCn1ccc(NCC(O)COc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H15Cl2N3O2/c1-18-6-5-12(17-18)16-7-9(19)8-20-13-10(14)3-2-4-11(13)15/h2-6,9,19H,7-8H2,1H3,(H,16,17)
InChIKeyGEPIXACTXONZHA-UHFFFAOYSA-N
XLogP2.58
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778676
1-(4-methylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79779688
4-[2-hydroxy-3-[(1-methylpyrazol-3-yl)amino]propoxy]benzonitrile
CID 79778561
1-(2,4-dimethylphenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778480
1-(2-methoxyethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106990156
1-(cyclopropylmethoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778854
(2R)-1-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106932300
1-[(2-fluorophenyl)methoxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778483
1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol
CID 60634254
1-(2,6-dichlorophenoxy)-3-(3,3-dimethylbutylamino)propan-2-ol
CID 115581091
1-(2,6-dichlorophenoxy)-3-(3-ethylpentan-3-ylamino)propan-2-ol
CID 65039959
2-[[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]amino]-N-propan-2-ylacetamide
CID 60909088

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol (CID 79779274) is 1-(2,6-dichlorophenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol is Cn1ccc(NCC(O)COc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 1-(2,6-dichlorophenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
The InChIKey is GEPIXACTXONZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c1-18-6-5-12(17-18)16-7-9(19)8-20-13-10(14)3-2-4-11(13)15/h2-6,9,19H,7-8H2,1H3,(H,16,17).
What are the key properties of 1-(2,6-dichlorophenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol?
1-(2,6-dichlorophenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol has a molecular weight of 316.19 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenoxy)-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol is sourced from PubChem (CID 79779274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).