6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C11H8BrN5O2 — CID 1257160

IUPAC6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3ncc(Br)cn3n2)no1
InChIInChI=1S/C11H8BrN5O2/c1-6-2-9(16-19-6)14-11(18)8-3-10-13-4-7(12)5-17(10)15-8/h2-5H,1H3,(H,14,16,18)
InChIKeyXBSGEJJLXGZAPM-UHFFFAOYSA-N
MW322.12 g/mol
LogP2.04
Rot. Bonds2

About 6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1257160) has the molecular formula C11H8BrN5O2 and a molecular weight of 322.12 g/mol. Its IUPAC name is 6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1257160
Molecular FormulaC11H8BrN5O2
Molecular Weight322.12 g/mol
Exact Mass320.99
IUPAC Name6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3ncc(Br)cn3n2)no1
InChIInChI=1S/C11H8BrN5O2/c1-6-2-9(16-19-6)14-11(18)8-3-10-13-4-7(12)5-17(10)15-8/h2-5H,1H3,(H,14,16,18)
InChIKeyXBSGEJJLXGZAPM-UHFFFAOYSA-N
XLogP2.04
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.12
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1257160) is 6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(NC(=O)c2cc3ncc(Br)cn3n2)no1.
What is the InChIKey of 6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XBSGEJJLXGZAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5O2/c1-6-2-9(16-19-6)14-11(18)8-3-10-13-4-7(12)5-17(10)15-8/h2-5H,1H3,(H,14,16,18).
What are the key properties of 6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 322.12 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1257160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).