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

C16H16N4O — CID 755926

IUPACN-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)NCc3ccccc3)c2n1
InChIInChI=1S/C16H16N4O/c1-11-8-12(2)20-15(19-11)14(10-18-20)16(21)17-9-13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3,(H,17,21)
InChIKeyVPAFDLGMOGSBOL-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.28
Rot. Bonds3

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

N-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 755926) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID755926
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)NCc3ccccc3)c2n1
InChIInChI=1S/C16H16N4O/c1-11-8-12(2)20-15(19-11)14(10-18-20)16(21)17-9-13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3,(H,17,21)
InChIKeyVPAFDLGMOGSBOL-UHFFFAOYSA-N
XLogP2.28
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 755926) is N-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)NCc3ccccc3)c2n1.
What is the InChIKey of N-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VPAFDLGMOGSBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-8-12(2)20-15(19-11)14(10-18-20)16(21)17-9-13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3,(H,17,21).
What are the key properties of N-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 755926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).