6-chloro-1,2-bis(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-one

C19H12Cl3N3O — CID 154316185

IUPAC6-chloro-1,2-bis(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(-c3cccc(Cl)c3)n(-c3cccc(Cl)c3)n2c(=O)c1Cl
InChIInChI=1S/C19H12Cl3N3O/c1-11-18(22)19(26)25-17(23-11)10-16(12-4-2-5-13(20)8-12)24(25)15-7-3-6-14(21)9-15/h2-10H,1H3
InChIKeyFPQPDGLLNMSDFN-UHFFFAOYSA-N
MW404.68 g/mol
LogP5.42
Rot. Bonds2

About 6-chloro-1,2-bis(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-one

6-chloro-1,2-bis(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 154316185) has the molecular formula C19H12Cl3N3O and a molecular weight of 404.68 g/mol. Its IUPAC name is 6-chloro-1,2-bis(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-chloro-1,2-bis(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID154316185
Molecular FormulaC19H12Cl3N3O
Molecular Weight404.68 g/mol
Exact Mass403.00
IUPAC Name6-chloro-1,2-bis(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(-c3cccc(Cl)c3)n(-c3cccc(Cl)c3)n2c(=O)c1Cl
InChIInChI=1S/C19H12Cl3N3O/c1-11-18(22)19(26)25-17(23-11)10-16(12-4-2-5-13(20)8-12)24(25)15-7-3-6-14(21)9-15/h2-10H,1H3
InChIKeyFPQPDGLLNMSDFN-UHFFFAOYSA-N
XLogP5.42
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.68
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-3,5,6-trimethylpyrimidin-4-one
CID 123522555
2-(3-chlorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 784601
2,5-dichloro-6-methyl-3-phenylpyrimidin-4-one
CID 154123785
4-(3-chlorophenyl)-1,2,4-triazole-3,5-dione
CID 15179076
2-(3-chlorophenyl)-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 10540006
3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)pyrazol-5-amine
CID 43542636
1-(4-chlorophenyl)-2-phenyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 154339342
1-(3-chlorophenyl)-3,6-dimethyl-4-phenylpyrazolo[3,4-b]pyridine
CID 17309001
2-(3-chlorophenyl)-1,5-dimethyl-4-nitrosopyrazol-3-one
CID 13279460
1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine
CID 10513268
2-chloro-5-(3-chlorophenyl)-1-methylimidazole
CID 117259913
2-(3-chlorophenyl)-1-methyl-4-phenyl-5-propan-2-ylpyrazol-3-one
CID 134087050

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,2-bis(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-chloro-1,2-bis(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-one (CID 154316185) is 6-chloro-1,2-bis(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-chloro-1,2-bis(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-chloro-1,2-bis(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc(-c3cccc(Cl)c3)n(-c3cccc(Cl)c3)n2c(=O)c1Cl.
What is the InChIKey of 6-chloro-1,2-bis(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FPQPDGLLNMSDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3N3O/c1-11-18(22)19(26)25-17(23-11)10-16(12-4-2-5-13(20)8-12)24(25)15-7-3-6-14(21)9-15/h2-10H,1H3.
What are the key properties of 6-chloro-1,2-bis(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-one?
6-chloro-1,2-bis(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 404.68 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,2-bis(3-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 154316185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).