N-(3-acetylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H16N4O2 — CID 2237122

IUPACN-(3-acetylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc3nc(C)cc(C)n3n2)c1
InChIInChI=1S/C17H16N4O2/c1-10-7-11(2)21-16(18-10)9-15(20-21)17(23)19-14-6-4-5-13(8-14)12(3)22/h4-9H,1-3H3,(H,19,23)
InChIKeyVCUDGAYSKNHUEP-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.80
Rot. Bonds3

About N-(3-acetylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(3-acetylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2237122) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2237122
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(3-acetylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc3nc(C)cc(C)n3n2)c1
InChIInChI=1S/C17H16N4O2/c1-10-7-11(2)21-16(18-10)9-15(20-21)17(23)19-14-6-4-5-13(8-14)12(3)22/h4-9H,1-3H3,(H,19,23)
InChIKeyVCUDGAYSKNHUEP-UHFFFAOYSA-N
XLogP2.80
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2237122) is N-(3-acetylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(=O)c1cccc(NC(=O)c2cc3nc(C)cc(C)n3n2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is VCUDGAYSKNHUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-10-7-11(2)21-16(18-10)9-15(20-21)17(23)19-14-6-4-5-13(8-14)12(3)22/h4-9H,1-3H3,(H,19,23).
What are the key properties of N-(3-acetylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(3-acetylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2237122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).