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

C13H8Cl3N3 — CID 113433952

IUPAC5,7-dichloro-6-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2c(Cl)c(-c3ccccc3Cl)c(Cl)nc12
InChIInChI=1S/C13H8Cl3N3/c1-7-6-17-19-12(16)10(11(15)18-13(7)19)8-4-2-3-5-9(8)14/h2-6H,1H3
InChIKeyVHPRKELPVFTXMJ-UHFFFAOYSA-N
MW312.59 g/mol
LogP4.66
Rot. Bonds1

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

5,7-dichloro-6-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 113433952) has the molecular formula C13H8Cl3N3 and a molecular weight of 312.59 g/mol. Its IUPAC name is 5,7-dichloro-6-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-6-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine
PubChem CID113433952
Molecular FormulaC13H8Cl3N3
Molecular Weight312.59 g/mol
Exact Mass310.98
IUPAC Name5,7-dichloro-6-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2c(Cl)c(-c3ccccc3Cl)c(Cl)nc12
InChIInChI=1S/C13H8Cl3N3/c1-7-6-17-19-12(16)10(11(15)18-13(7)19)8-4-2-3-5-9(8)14/h2-6H,1H3
InChIKeyVHPRKELPVFTXMJ-UHFFFAOYSA-N
XLogP4.66
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dichloro-6-(2-chlorophenyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine
CID 104621709
5,7-dichloro-3-ethyl-6-(2-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 104621767
5,7-dichloro-6-(2-chlorophenyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 104616040
N'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 70806611
5,7-dichloro-6-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 114514536
5,7-dichloro-6-(2-chlorophenyl)-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 114514628
5-chloro-6-(2-chlorophenyl)-7-[methyl(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 58630276
7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 4908382
5,7-dichloro-3-(4-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine
CID 82274624
4-(2-chlorophenyl)-1-ethyl-5-methylpyrazole
CID 162636745
5,7-dichloro-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 114514531
7-chloro-5-(4-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine
CID 154540820

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-6-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine (CID 113433952) is 5,7-dichloro-6-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-6-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-6-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine is Cc1cnn2c(Cl)c(-c3ccccc3Cl)c(Cl)nc12.
What is the InChIKey of 5,7-dichloro-6-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is VHPRKELPVFTXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3N3/c1-7-6-17-19-12(16)10(11(15)18-13(7)19)8-4-2-3-5-9(8)14/h2-6H,1H3.
What are the key properties of 5,7-dichloro-6-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine?
5,7-dichloro-6-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 312.59 g/mol, XLogP of 4.66, 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)-3-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 113433952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).