5,7-dichloro-6-(2-chlorophenyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine

C14H10Cl3N3 — CID 104621709

IUPAC5,7-dichloro-6-(2-chlorophenyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(Cl)c(-c3ccccc3Cl)c(Cl)nc2c1C
InChIInChI=1S/C14H10Cl3N3/c1-7-8(2)19-20-13(17)11(12(16)18-14(7)20)9-5-3-4-6-10(9)15/h3-6H,1-2H3
InChIKeyQEYZAIBIPYRSRL-UHFFFAOYSA-N
MW326.61 g/mol
LogP4.97
Rot. Bonds1

About 5,7-dichloro-6-(2-chlorophenyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine

5,7-dichloro-6-(2-chlorophenyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 104621709) has the molecular formula C14H10Cl3N3 and a molecular weight of 326.61 g/mol. Its IUPAC name is 5,7-dichloro-6-(2-chlorophenyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-6-(2-chlorophenyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID104621709
Molecular FormulaC14H10Cl3N3
Molecular Weight326.61 g/mol
Exact Mass324.99
IUPAC Name5,7-dichloro-6-(2-chlorophenyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(Cl)c(-c3ccccc3Cl)c(Cl)nc2c1C
InChIInChI=1S/C14H10Cl3N3/c1-7-8(2)19-20-13(17)11(12(16)18-14(7)20)9-5-3-4-6-10(9)15/h3-6H,1-2H3
InChIKeyQEYZAIBIPYRSRL-UHFFFAOYSA-N
XLogP4.97
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.61
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dichloro-6-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine
CID 113433952
7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 4908382
5,7-dichloro-6-(2-chlorophenyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 104616040
5,7-dichloro-6-(2-chlorophenyl)-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 114514628
6-(2-chlorophenyl)-7,8-dimethylimidazo[1,2-b]pyridazin-3-amine
CID 126708793
5-tert-butyl-3-(2-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 4971379
3-[3-(2-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 71563426
5,7-dichloro-3-(4-chlorophenyl)-2,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274661
7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 21083721
7-chloro-6-ethyl-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine
CID 104621702
5-tert-butyl-3-(2-chlorophenyl)-2-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 4970854
5,7-dichloro-3-ethyl-6-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 104621767

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-(2-chlorophenyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-6-(2-chlorophenyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine (CID 104621709) is 5,7-dichloro-6-(2-chlorophenyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-6-(2-chlorophenyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-6-(2-chlorophenyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine is Cc1nn2c(Cl)c(-c3ccccc3Cl)c(Cl)nc2c1C.
What is the InChIKey of 5,7-dichloro-6-(2-chlorophenyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is QEYZAIBIPYRSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N3/c1-7-8(2)19-20-13(17)11(12(16)18-14(7)20)9-5-3-4-6-10(9)15/h3-6H,1-2H3.
What are the key properties of 5,7-dichloro-6-(2-chlorophenyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine?
5,7-dichloro-6-(2-chlorophenyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 326.61 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-(2-chlorophenyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 104621709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).