6-bromo-N-(1-hydroxy-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C13H17BrN4O2 — CID 110002377

IUPAC6-bromo-N-(1-hydroxy-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1cnn2cc(Br)cnc12
InChIInChI=1S/C13H17BrN4O2/c1-3-13(2,4-5-19)17-12(20)10-7-16-18-8-9(14)6-15-11(10)18/h6-8,19H,3-5H2,1-2H3,(H,17,20)
InChIKeyCNWDTXVLPJBLQB-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.77
Rot. Bonds5

About 6-bromo-N-(1-hydroxy-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-bromo-N-(1-hydroxy-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110002377) has the molecular formula C13H17BrN4O2 and a molecular weight of 341.21 g/mol. Its IUPAC name is 6-bromo-N-(1-hydroxy-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1-hydroxy-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110002377
Molecular FormulaC13H17BrN4O2
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC Name6-bromo-N-(1-hydroxy-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1cnn2cc(Br)cnc12
InChIInChI=1S/C13H17BrN4O2/c1-3-13(2,4-5-19)17-12(20)10-7-16-18-8-9(14)6-15-11(10)18/h6-8,19H,3-5H2,1-2H3,(H,17,20)
InChIKeyCNWDTXVLPJBLQB-UHFFFAOYSA-N
XLogP1.77
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-hydroxy-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-bromo-N-(1-hydroxy-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110002377) is 6-bromo-N-(1-hydroxy-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(1-hydroxy-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(1-hydroxy-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCC(C)(CCO)NC(=O)c1cnn2cc(Br)cnc12.
What is the InChIKey of 6-bromo-N-(1-hydroxy-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CNWDTXVLPJBLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2/c1-3-13(2,4-5-19)17-12(20)10-7-16-18-8-9(14)6-15-11(10)18/h6-8,19H,3-5H2,1-2H3,(H,17,20).
What are the key properties of 6-bromo-N-(1-hydroxy-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-bromo-N-(1-hydroxy-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 341.21 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-hydroxy-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110002377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).