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

C12H6Cl3N3 — CID 113433308

IUPAC5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cccc(-c2c(Cl)nc3ccnn3c2Cl)c1
InChIInChI=1S/C12H6Cl3N3/c13-8-3-1-2-7(6-8)10-11(14)17-9-4-5-16-18(9)12(10)15/h1-6H
InChIKeyCFAYHLBDRSDEMX-UHFFFAOYSA-N
MW298.56 g/mol
LogP4.36
Rot. Bonds1

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

5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 113433308) has the molecular formula C12H6Cl3N3 and a molecular weight of 298.56 g/mol. Its IUPAC name is 5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID113433308
Molecular FormulaC12H6Cl3N3
Molecular Weight298.56 g/mol
Exact Mass296.96
IUPAC Name5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine
SMILESClc1cccc(-c2c(Cl)nc3ccnn3c2Cl)c1
InChIInChI=1S/C12H6Cl3N3/c13-8-3-1-2-7(6-8)10-11(14)17-9-4-5-16-18(9)12(10)15/h1-6H
InChIKeyCFAYHLBDRSDEMX-UHFFFAOYSA-N
XLogP4.36
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.56
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 114514541
5,7-dichloro-6-(3-chlorophenyl)-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 104818858
4,6-dichloro-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 79441038
7-chloro-6-[(3-chlorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 82274547
4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine
CID 79441260
5-chloro-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 11460143
5,7-dichloro-6-(3-fluorophenyl)-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 104621638
4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine
CID 79441111
5,7-dichloro-6-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine
CID 164889382
6-(3-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 124908703
7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine
CID 82274522
5,7-dichloro-6-cyclohexylpyrazolo[1,5-a]pyrimidine
CID 82274678

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine (CID 113433308) is 5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine is Clc1cccc(-c2c(Cl)nc3ccnn3c2Cl)c1.
What is the InChIKey of 5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is CFAYHLBDRSDEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3N3/c13-8-3-1-2-7(6-8)10-11(14)17-9-4-5-16-18(9)12(10)15/h1-6H.
What are the key properties of 5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine?
5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 298.56 g/mol, XLogP of 4.36, 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-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 113433308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).