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

C10H11BrN4O2 — CID 111432963

IUPAC6-bromo-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(O)CNC(=O)c1cnn2cc(Br)cnc12
InChIInChI=1S/C10H11BrN4O2/c1-6(16)2-13-10(17)8-4-14-15-5-7(11)3-12-9(8)15/h3-6,16H,2H2,1H3,(H,13,17)
InChIKeyXBRSUEYUWWONEC-UHFFFAOYSA-N
MW299.13 g/mol
LogP0.60
Rot. Bonds3

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

6-bromo-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 111432963) has the molecular formula C10H11BrN4O2 and a molecular weight of 299.13 g/mol. Its IUPAC name is 6-bromo-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID111432963
Molecular FormulaC10H11BrN4O2
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name6-bromo-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(O)CNC(=O)c1cnn2cc(Br)cnc12
InChIInChI=1S/C10H11BrN4O2/c1-6(16)2-13-10(17)8-4-14-15-5-7(11)3-12-9(8)15/h3-6,16H,2H2,1H3,(H,13,17)
InChIKeyXBRSUEYUWWONEC-UHFFFAOYSA-N
XLogP0.60
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-N-(1-propylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17060258
6-bromo-N-(4-hydroxy-1-bicyclo[2.2.2]octanyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 169087436
ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45073325
6-bromo-N-(1-hydroxy-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110002377
6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2984752
6-bromo-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2978702
N-(2-hydroxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78897388
2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003
6-[(4-bromophenyl)methyl]-N-[2-(2,3-dihydroxypropoxy)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 25072782
5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide
CID 83058588
3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide
CID 103909431
5-bromo-N-(2-hydroxypropyl)-2-nitropyridine-4-carboxamide
CID 114194173

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-bromo-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 111432963) is 6-bromo-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(O)CNC(=O)c1cnn2cc(Br)cnc12.
What is the InChIKey of 6-bromo-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XBRSUEYUWWONEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2/c1-6(16)2-13-10(17)8-4-14-15-5-7(11)3-12-9(8)15/h3-6,16H,2H2,1H3,(H,13,17).
What are the key properties of 6-bromo-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-bromo-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 299.13 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 111432963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).