methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate

C14H18ClN3O2 — CID 86674708

IUPACmethyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCOC(=O)Cc1c(C)nc2cc(C(C)(C)C)nn2c1Cl
InChIInChI=1S/C14H18ClN3O2/c1-8-9(6-12(19)20-5)13(15)18-11(16-8)7-10(17-18)14(2,3)4/h7H,6H2,1-5H3
InChIKeyHINHPWLZFLHHNE-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.70
Rot. Bonds2

About methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate

methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (PubChem CID 86674708) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
PubChem CID86674708
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Namemethyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCOC(=O)Cc1c(C)nc2cc(C(C)(C)C)nn2c1Cl
InChIInChI=1S/C14H18ClN3O2/c1-8-9(6-12(19)20-5)13(15)18-11(16-8)7-10(17-18)14(2,3)4/h7H,6H2,1-5H3
InChIKeyHINHPWLZFLHHNE-UHFFFAOYSA-N
XLogP2.70
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The IUPAC name of methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (CID 86674708) is methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.
What is the SMILES notation for methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The canonical SMILES for methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is COC(=O)Cc1c(C)nc2cc(C(C)(C)C)nn2c1Cl.
What is the InChIKey of methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The InChIKey is HINHPWLZFLHHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-8-9(6-12(19)20-5)13(15)18-11(16-8)7-10(17-18)14(2,3)4/h7H,6H2,1-5H3.
What are the key properties of methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate has a molecular weight of 295.77 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-tert-butyl-7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is sourced from PubChem (CID 86674708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).