1-[7-(4,5-dimethoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one

C18H19N3O3 — CID 163264374

IUPAC1-[7-(4,5-dimethoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one
SMILESCCC(=O)c1cc2nccc(-c3cc(OC)c(OC)cc3C)n2n1
InChIInChI=1S/C18H19N3O3/c1-5-15(22)13-10-18-19-7-6-14(21(18)20-13)12-9-17(24-4)16(23-3)8-11(12)2/h6-10H,5H2,1-4H3
InChIKeyIGQWAWIWYGJDCD-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.31
Rot. Bonds5

About 1-[7-(4,5-dimethoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one

1-[7-(4,5-dimethoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one (PubChem CID 163264374) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-[7-(4,5-dimethoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[7-(4,5-dimethoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one
PubChem CID163264374
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-[7-(4,5-dimethoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one
SMILESCCC(=O)c1cc2nccc(-c3cc(OC)c(OC)cc3C)n2n1
InChIInChI=1S/C18H19N3O3/c1-5-15(22)13-10-18-19-7-6-14(21(18)20-13)12-9-17(24-4)16(23-3)8-11(12)2/h6-10H,5H2,1-4H3
InChIKeyIGQWAWIWYGJDCD-UHFFFAOYSA-N
XLogP3.31
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[7-(3-methoxy-4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]butan-1-one;pentan-3-one;propane;1,4-xylene
CID 163264873
2-aminopentan-3-one;1-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]butan-1-one;1,4-xylene
CID 163264738
1-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one;1-methyl-4-propoxybenzene;3-methyl-1-propoxybutane
CID 163264834
1-[7-(3-methoxy-4-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]butan-1-one;1-methyl-4-propoxybenzene
CID 163265029
ethyl 4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazine-1-carboxylate
CID 167400984
7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4776201
7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 103200521
N-(5-chloro-2-methylphenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 50751519
methyl 2-[[7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]acetate
CID 19414314
1-[7-(2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one;1-ethoxy-4-methylbenzene
CID 163264809
N-butan-2-yl-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466570
ethyl 7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 24775846

Frequently Asked Questions

What is the IUPAC name of 1-[7-(4,5-dimethoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one?
The IUPAC name of 1-[7-(4,5-dimethoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one (CID 163264374) is 1-[7-(4,5-dimethoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one.
What is the SMILES notation for 1-[7-(4,5-dimethoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one?
The canonical SMILES for 1-[7-(4,5-dimethoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one is CCC(=O)c1cc2nccc(-c3cc(OC)c(OC)cc3C)n2n1.
What is the InChIKey of 1-[7-(4,5-dimethoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one?
The InChIKey is IGQWAWIWYGJDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-5-15(22)13-10-18-19-7-6-14(21(18)20-13)12-9-17(24-4)16(23-3)8-11(12)2/h6-10H,5H2,1-4H3.
What are the key properties of 1-[7-(4,5-dimethoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one?
1-[7-(4,5-dimethoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one has a molecular weight of 325.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(4,5-dimethoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-one is sourced from PubChem (CID 163264374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).