6-bromo-N-[1-(4-methylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H17BrN4O — CID 4867883

IUPAC6-bromo-N-[1-(4-methylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(NC(=O)c1cc2ncc(Br)cn2n1)c1ccc(C)cc1
InChIInChI=1S/C17H17BrN4O/c1-3-14(12-6-4-11(2)5-7-12)20-17(23)15-8-16-19-9-13(18)10-22(16)21-15/h4-10,14H,3H2,1-2H3,(H,20,23)
InChIKeyKZALBQPBIPFWCK-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.68
Rot. Bonds4

About 6-bromo-N-[1-(4-methylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

6-bromo-N-[1-(4-methylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4867883) has the molecular formula C17H17BrN4O and a molecular weight of 373.25 g/mol. Its IUPAC name is 6-bromo-N-[1-(4-methylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-(4-methylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID4867883
Molecular FormulaC17H17BrN4O
Molecular Weight373.25 g/mol
Exact Mass372.06
IUPAC Name6-bromo-N-[1-(4-methylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(NC(=O)c1cc2ncc(Br)cn2n1)c1ccc(C)cc1
InChIInChI=1S/C17H17BrN4O/c1-3-14(12-6-4-11(2)5-7-12)20-17(23)15-8-16-19-9-13(18)10-22(16)21-15/h4-10,14H,3H2,1-2H3,(H,20,23)
InChIKeyKZALBQPBIPFWCK-UHFFFAOYSA-N
XLogP3.68
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(4-methylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-bromo-N-[1-(4-methylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 4867883) is 6-bromo-N-[1-(4-methylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-(4-methylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[1-(4-methylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCC(NC(=O)c1cc2ncc(Br)cn2n1)c1ccc(C)cc1.
What is the InChIKey of 6-bromo-N-[1-(4-methylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is KZALBQPBIPFWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O/c1-3-14(12-6-4-11(2)5-7-12)20-17(23)15-8-16-19-9-13(18)10-22(16)21-15/h4-10,14H,3H2,1-2H3,(H,20,23).
What are the key properties of 6-bromo-N-[1-(4-methylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
6-bromo-N-[1-(4-methylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 373.25 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(4-methylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4867883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).