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

C11H8BrN5O2 — CID 2984752

IUPAC6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3cc(Br)cnc23)no1
InChIInChI=1S/C11H8BrN5O2/c1-6-2-9(16-19-6)15-11(18)8-4-14-17-5-7(12)3-13-10(8)17/h2-5H,1H3,(H,15,16,18)
InChIKeyVNKWQCRJAIDCIG-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-3-carboxamide

6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2984752) 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-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2984752
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-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3cc(Br)cnc23)no1
InChIInChI=1S/C11H8BrN5O2/c1-6-2-9(16-19-6)15-11(18)8-4-14-17-5-7(12)3-13-10(8)17/h2-5H,1H3,(H,15,16,18)
InChIKeyVNKWQCRJAIDCIG-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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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1251288
5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 62000214
6-bromo-N-(1-propylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17060258
1-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
CID 844731
6-bromo-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111432963
6-bromo-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2978702
ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45073325
2-bromo-N-(5-methyl-1,2-oxazol-3-yl)furan-3-carboxamide
CID 106852360
6-bromo-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 169087436
2,5-dichloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 114917035
6-bromo-N-[4-methyl-5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166195009
6-bromo-N-(1-hydroxy-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110002377

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2984752) is 6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(NC(=O)c2cnn3cc(Br)cnc23)no1.
What is the InChIKey of 6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VNKWQCRJAIDCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5O2/c1-6-2-9(16-19-6)15-11(18)8-4-14-17-5-7(12)3-13-10(8)17/h2-5H,1H3,(H,15,16,18).
What are the key properties of 6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-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-3-carboxamide is sourced from PubChem (CID 2984752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).