methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetate

C15H19Cl2N3O3 — CID 86670283

IUPACmethyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCOC(=O)C(OC(C)(C)C)c1c(C)nc2c(Cl)c(C)nn2c1Cl
InChIInChI=1S/C15H19Cl2N3O3/c1-7-9(11(14(21)22-6)23-15(3,4)5)12(17)20-13(18-7)10(16)8(2)19-20/h11H,1-6H3
InChIKeyAVPUILSQJXTZEN-UHFFFAOYSA-N
MW360.24 g/mol
LogP3.68
Rot. Bonds3

About methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetate

methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 86670283) has the molecular formula C15H19Cl2N3O3 and a molecular weight of 360.24 g/mol. Its IUPAC name is methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
PubChem CID86670283
Molecular FormulaC15H19Cl2N3O3
Molecular Weight360.24 g/mol
Exact Mass359.08
IUPAC Namemethyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCOC(=O)C(OC(C)(C)C)c1c(C)nc2c(Cl)c(C)nn2c1Cl
InChIInChI=1S/C15H19Cl2N3O3/c1-7-9(11(14(21)22-6)23-15(3,4)5)12(17)20-13(18-7)10(16)8(2)19-20/h11H,1-6H3
InChIKeyAVPUILSQJXTZEN-UHFFFAOYSA-N
XLogP3.68
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The IUPAC name of methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetate (CID 86670283) is methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetate.
What is the SMILES notation for methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The canonical SMILES for methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetate is COC(=O)C(OC(C)(C)C)c1c(C)nc2c(Cl)c(C)nn2c1Cl.
What is the InChIKey of methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The InChIKey is AVPUILSQJXTZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O3/c1-7-9(11(14(21)22-6)23-15(3,4)5)12(17)20-13(18-7)10(16)8(2)19-20/h11H,1-6H3.
What are the key properties of methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 360.24 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,7-dichloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 86670283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).