(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl) 2-chloroacetate

C10H10ClN3O2 — CID 13289507

IUPAC(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl) 2-chloroacetate
SMILESCc1cc(C)n2nc(OC(=O)CCl)cc2n1
InChIInChI=1S/C10H10ClN3O2/c1-6-3-7(2)14-8(12-6)4-9(13-14)16-10(15)5-11/h3-4H,5H2,1-2H3
InChIKeyYIHPRPKBEDCUTK-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.49
Rot. Bonds2

About (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl) 2-chloroacetate

(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl) 2-chloroacetate (PubChem CID 13289507) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl) 2-chloroacetate.

Molecular Properties

Compound Name(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl) 2-chloroacetate
PubChem CID13289507
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl) 2-chloroacetate
SMILESCc1cc(C)n2nc(OC(=O)CCl)cc2n1
InChIInChI=1S/C10H10ClN3O2/c1-6-3-7(2)14-8(12-6)4-9(13-14)16-10(15)5-11/h3-4H,5H2,1-2H3
InChIKeyYIHPRPKBEDCUTK-UHFFFAOYSA-N
XLogP1.49
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl) 2-chloroacetate?
The IUPAC name of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl) 2-chloroacetate (CID 13289507) is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl) 2-chloroacetate.
What is the SMILES notation for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl) 2-chloroacetate?
The canonical SMILES for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl) 2-chloroacetate is Cc1cc(C)n2nc(OC(=O)CCl)cc2n1.
What is the InChIKey of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl) 2-chloroacetate?
The InChIKey is YIHPRPKBEDCUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-6-3-7(2)14-8(12-6)4-9(13-14)16-10(15)5-11/h3-4H,5H2,1-2H3.
What are the key properties of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl) 2-chloroacetate?
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl) 2-chloroacetate has a molecular weight of 239.66 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl) 2-chloroacetate is sourced from PubChem (CID 13289507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).