6-bromo-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C10H11BrN4O2 — CID 2237560

IUPAC6-bromo-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOCCNC(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C10H11BrN4O2/c1-17-3-2-12-10(16)8-4-9-13-5-7(11)6-15(9)14-8/h4-6H,2-3H2,1H3,(H,12,16)
InChIKeyOSYWYONRFUSIAS-UHFFFAOYSA-N
MW299.13 g/mol
LogP0.87
Rot. Bonds4

About 6-bromo-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

6-bromo-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2237560) has the molecular formula C10H11BrN4O2 and a molecular weight of 299.13 g/mol. Its IUPAC name is 6-bromo-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2237560
Molecular FormulaC10H11BrN4O2
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name6-bromo-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOCCNC(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C10H11BrN4O2/c1-17-3-2-12-10(16)8-4-9-13-5-7(11)6-15(9)14-8/h4-6H,2-3H2,1H3,(H,12,16)
InChIKeyOSYWYONRFUSIAS-UHFFFAOYSA-N
XLogP0.87
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2237560) is 6-bromo-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COCCNC(=O)c1cc2ncc(Br)cn2n1.
What is the InChIKey of 6-bromo-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is OSYWYONRFUSIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2/c1-17-3-2-12-10(16)8-4-9-13-5-7(11)6-15(9)14-8/h4-6H,2-3H2,1H3,(H,12,16).
What are the key properties of 6-bromo-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
6-bromo-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 299.13 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2237560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).