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

C13H5Cl3N4 — CID 114514541

IUPAC5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(Cl)c(-c3cccc(Cl)c3)c(Cl)nc12
InChIInChI=1S/C13H5Cl3N4/c14-9-3-1-2-7(4-9)10-11(15)19-13-8(5-17)6-18-20(13)12(10)16/h1-4,6H
InChIKeyOPEKOZYTSBTUMK-UHFFFAOYSA-N
MW323.57 g/mol
LogP4.23
Rot. Bonds1

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

5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 114514541) has the molecular formula C13H5Cl3N4 and a molecular weight of 323.57 g/mol. Its IUPAC name is 5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID114514541
Molecular FormulaC13H5Cl3N4
Molecular Weight323.57 g/mol
Exact Mass321.96
IUPAC Name5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(Cl)c(-c3cccc(Cl)c3)c(Cl)nc12
InChIInChI=1S/C13H5Cl3N4/c14-9-3-1-2-7(4-9)10-11(15)19-13-8(5-17)6-18-20(13)12(10)16/h1-4,6H
InChIKeyOPEKOZYTSBTUMK-UHFFFAOYSA-N
XLogP4.23
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.57
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dichloro-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 114514531
5,7-dichloro-6-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 114514536
5,7-dichloro-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 11653355
5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine
CID 113433308
5-chloro-7-[(3-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 155104401
2-amino-4-chloropyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 53487763
7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
CID 14950768
7-chloro-3-(3-chlorophenyl)-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 82274439
5,7-dichloro-6-(3-chlorophenyl)-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 104818858
2-chloro-4-(3-chlorophenyl)benzonitrile
CID 70699654
7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine
CID 82274522
5-chloro-6-(2-chloro-6-fluorophenyl)-7-(4-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 58630289

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 114514541) is 5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(Cl)c(-c3cccc(Cl)c3)c(Cl)nc12.
What is the InChIKey of 5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is OPEKOZYTSBTUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl3N4/c14-9-3-1-2-7(4-9)10-11(15)19-13-8(5-17)6-18-20(13)12(10)16/h1-4,6H.
What are the key properties of 5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 323.57 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 114514541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).