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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Related Compounds

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N-(3-(1H-imidazol-1-yl)propyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
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Jqez5
CID 121322599
N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377630
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377741
4-(azetidine-1-carbonyl)-1-methyl-N-{2-[3-phenyl-1-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-pyrazole-5-carboxamide
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CID 23400214
CU-CPT-8m
CID 15042086
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67776704
4-[4-[3-Bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide
CID 137348547
4-(5-((Pyridin-3-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide
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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).