1-[3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone

C17H17N3O2 — CID 2201513

IUPAC1-[3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCOc1ccccc1-c1c(C)nn2c(C)c(C(C)=O)cnc12
InChIInChI=1S/C17H17N3O2/c1-10-16(13-7-5-6-8-15(13)22-4)17-18-9-14(12(3)21)11(2)20(17)19-10/h5-9H,1-4H3
InChIKeyZKFALOZGMFUEOZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.22
Rot. Bonds3

About 1-[3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone

1-[3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 2201513) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
PubChem CID2201513
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-[3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCOc1ccccc1-c1c(C)nn2c(C)c(C(C)=O)cnc12
InChIInChI=1S/C17H17N3O2/c1-10-16(13-7-5-6-8-15(13)22-4)17-18-9-14(12(3)21)11(2)20(17)19-10/h5-9H,1-4H3
InChIKeyZKFALOZGMFUEOZ-UHFFFAOYSA-N
XLogP3.22
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

HCAR2 agonist 1
CID 25101223
Ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754764
7-(difluoromethyl)-N-(2-methoxybenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 975142
7-(4-Methoxyphenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4774630
2-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329459
rac-3-(4-isopropylphenyl)-7-methyl-N-(1-phenoxypropan-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 44579762
N-[(3S)-1-[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N,2-dimethylpropanamide
CID 168282980
N-[(3S)-1-[3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-N,2,2-trimethylpropanamide
CID 168291872
1-[2-(4-Methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 754768
3-(2-Methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 977660
(1,3-Dimethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone
CID 2125445
3-Fluoropropyl 4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl ether
CID 3692931

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 2201513) is 1-[3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone is COc1ccccc1-c1c(C)nn2c(C)c(C(C)=O)cnc12.
What is the InChIKey of 1-[3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The InChIKey is ZKFALOZGMFUEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-10-16(13-7-5-6-8-15(13)22-4)17-18-9-14(12(3)21)11(2)20(17)19-10/h5-9H,1-4H3.
What are the key properties of 1-[3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
1-[3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 295.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 2201513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).