3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C13H9Cl2N3O — CID 22029345

IUPAC3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]cc(-c3ccc(Cl)cc3Cl)c2n1
InChIInChI=1S/C13H9Cl2N3O/c1-7-4-12(19)18-13(17-7)10(6-16-18)9-3-2-8(14)5-11(9)15/h2-6,16H,1H3
InChIKeyCAHLCUJSRBJJHW-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.30
Rot. Bonds1

About 3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 22029345) has the molecular formula C13H9Cl2N3O and a molecular weight of 294.14 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID22029345
Molecular FormulaC13H9Cl2N3O
Molecular Weight294.14 g/mol
Exact Mass293.01
IUPAC Name3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]cc(-c3ccc(Cl)cc3Cl)c2n1
InChIInChI=1S/C13H9Cl2N3O/c1-7-4-12(19)18-13(17-7)10(6-16-18)9-3-2-8(14)5-11(9)15/h2-6,16H,1H3
InChIKeyCAHLCUJSRBJJHW-UHFFFAOYSA-N
XLogP3.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82274180
5-(2,4-dichlorophenyl)-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 22308919
N-(4-chlorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46507716
3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 6484562
5-(2,5-dichlorophenyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 22308864
4-chloro-8-(2,4-dichlorophenyl)-2-methylpyrrolo[1,2-a]pyrimidine-6-carbonitrile
CID 12018445
3-benzyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82274273
2-(2-amino-4-chlorophenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455447
N-[(2-chlorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4548099
5-(2,4-dichlorophenyl)-3-hydroxy-4-methyl-1H-pyridin-2-one
CID 123499878
3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 3764450
4-(2,4-dichlorophenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 134085650

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 22029345) is 3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]cc(-c3ccc(Cl)cc3Cl)c2n1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CAHLCUJSRBJJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O/c1-7-4-12(19)18-13(17-7)10(6-16-18)9-3-2-8(14)5-11(9)15/h2-6,16H,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 294.14 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 22029345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).