N-benzyl-3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H15BrN4O — CID 4265170

IUPACN-benzyl-3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NCc3ccccc3)c(Br)c2n1
InChIInChI=1S/C16H15BrN4O/c1-10-8-11(2)21-15(19-10)13(17)14(20-21)16(22)18-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,18,22)
InChIKeyCZCCEYVEVRLBGY-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.04
Rot. Bonds3

About N-benzyl-3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-benzyl-3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4265170) has the molecular formula C16H15BrN4O and a molecular weight of 359.23 g/mol. Its IUPAC name is N-benzyl-3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID4265170
Molecular FormulaC16H15BrN4O
Molecular Weight359.23 g/mol
Exact Mass358.04
IUPAC NameN-benzyl-3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)NCc3ccccc3)c(Br)c2n1
InChIInChI=1S/C16H15BrN4O/c1-10-8-11(2)21-15(19-10)13(17)14(20-21)16(22)18-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,18,22)
InChIKeyCZCCEYVEVRLBGY-UHFFFAOYSA-N
XLogP3.04
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-benzyl-3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 4265170) is N-benzyl-3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-benzyl-3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-benzyl-3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NCc3ccccc3)c(Br)c2n1.
What is the InChIKey of N-benzyl-3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CZCCEYVEVRLBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O/c1-10-8-11(2)21-15(19-10)13(17)14(20-21)16(22)18-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,18,22).
What are the key properties of N-benzyl-3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-benzyl-3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 359.23 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-bromo-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4265170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).