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

C14H11BrN4O2 — CID 2981713

IUPAC6-bromo-N-(2-hydroxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2cnn3cc(Br)cnc23)c1
InChIInChI=1S/C14H11BrN4O2/c1-8-2-3-12(20)11(4-8)18-14(21)10-6-17-19-7-9(15)5-16-13(10)19/h2-7,20H,1H3,(H,18,21)
InChIKeyGCRYRHLZQLCLMP-UHFFFAOYSA-N
MW347.17 g/mol
LogP2.76
Rot. Bonds2

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

6-bromo-N-(2-hydroxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2981713) has the molecular formula C14H11BrN4O2 and a molecular weight of 347.17 g/mol. Its IUPAC name is 6-bromo-N-(2-hydroxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-hydroxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2981713
Molecular FormulaC14H11BrN4O2
Molecular Weight347.17 g/mol
Exact Mass346.01
IUPAC Name6-bromo-N-(2-hydroxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2cnn3cc(Br)cnc23)c1
InChIInChI=1S/C14H11BrN4O2/c1-8-2-3-12(20)11(4-8)18-14(21)10-6-17-19-7-9(15)5-16-13(10)19/h2-7,20H,1H3,(H,18,21)
InChIKeyGCRYRHLZQLCLMP-UHFFFAOYSA-N
XLogP2.76
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-hydroxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-bromo-N-(2-hydroxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2981713) is 6-bromo-N-(2-hydroxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-hydroxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(2-hydroxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(O)c(NC(=O)c2cnn3cc(Br)cnc23)c1.
What is the InChIKey of 6-bromo-N-(2-hydroxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GCRYRHLZQLCLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O2/c1-8-2-3-12(20)11(4-8)18-14(21)10-6-17-19-7-9(15)5-16-13(10)19/h2-7,20H,1H3,(H,18,21).
What are the key properties of 6-bromo-N-(2-hydroxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-bromo-N-(2-hydroxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 347.17 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-hydroxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2981713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).