2-chloro-N-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide

C9H9ClN4O — CID 166432100

IUPAC2-chloro-N-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide
SMILESCc1ccn2ncc(NC(=O)CCl)c2n1
InChIInChI=1S/C9H9ClN4O/c1-6-2-3-14-9(12-6)7(5-11-14)13-8(15)4-10/h2-3,5H,4H2,1H3,(H,13,15)
InChIKeyVAXOIXOAKNKEQB-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.22
Rot. Bonds2

About 2-chloro-N-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide

2-chloro-N-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide (PubChem CID 166432100) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-chloro-N-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide
PubChem CID166432100
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name2-chloro-N-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide
SMILESCc1ccn2ncc(NC(=O)CCl)c2n1
InChIInChI=1S/C9H9ClN4O/c1-6-2-3-14-9(12-6)7(5-11-14)13-8(15)4-10/h2-3,5H,4H2,1H3,(H,13,15)
InChIKeyVAXOIXOAKNKEQB-UHFFFAOYSA-N
XLogP1.22
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-chloro-N-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide (CID 166432100) is 2-chloro-N-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide is Cc1ccn2ncc(NC(=O)CCl)c2n1.
What is the InChIKey of 2-chloro-N-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide?
The InChIKey is VAXOIXOAKNKEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c1-6-2-3-14-9(12-6)7(5-11-14)13-8(15)4-10/h2-3,5H,4H2,1H3,(H,13,15).
What are the key properties of 2-chloro-N-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide?
2-chloro-N-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide has a molecular weight of 224.65 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 166432100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).