1-[7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

C16H15N3O — CID 684290

IUPAC1-[7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1cnc2cc(-c3ccc(C)cc3)nn2c1C
InChIInChI=1S/C16H15N3O/c1-10-4-6-13(7-5-10)15-8-16-17-9-14(12(3)20)11(2)19(16)18-15/h4-9H,1-3H3
InChIKeySCHQLCFITYFCAX-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.22
Rot. Bonds2

About 1-[7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

1-[7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 684290) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
PubChem CID684290
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-[7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1cnc2cc(-c3ccc(C)cc3)nn2c1C
InChIInChI=1S/C16H15N3O/c1-10-4-6-13(7-5-10)15-8-16-17-9-14(12(3)20)11(2)19(16)18-15/h4-9H,1-3H3
InChIKeySCHQLCFITYFCAX-UHFFFAOYSA-N
XLogP3.22
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ocinaplon
CID 216456
N-(4-ethynylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46907762
7-(difluoromethyl)-N-(4-fluorobenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 975267
7-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2777692
7-(5-Methylimidazo[1,5-b]pyridazin-7-yl)-1-phenyl-1-heptanone
CID 455577
CU-CPT-8m
CID 15042086
US10774086, Example 2
CID 134551579
2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 936600
2-Methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 1474430
1-(2-Benzylsulfanyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 3162818
Ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 679547
Ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754764

Frequently Asked Questions

What is the IUPAC name of 1-[7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 684290) is 1-[7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is CC(=O)c1cnc2cc(-c3ccc(C)cc3)nn2c1C.
What is the InChIKey of 1-[7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The InChIKey is SCHQLCFITYFCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-4-6-13(7-5-10)15-8-16-17-9-14(12(3)20)11(2)19(16)18-15/h4-9H,1-3H3.
What are the key properties of 1-[7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
1-[7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 265.32 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 684290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).