5,7-dichloro-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C14H8Cl2N4 — CID 114514531

IUPAC5,7-dichloro-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1ccc(-c2c(Cl)nc3c(C#N)cnn3c2Cl)cc1
InChIInChI=1S/C14H8Cl2N4/c1-8-2-4-9(5-3-8)11-12(15)19-14-10(6-17)7-18-20(14)13(11)16/h2-5,7H,1H3
InChIKeyAJZYJYGCFDWBJA-UHFFFAOYSA-N
MW303.15 g/mol
LogP3.88
Rot. Bonds1

About 5,7-dichloro-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5,7-dichloro-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 114514531) has the molecular formula C14H8Cl2N4 and a molecular weight of 303.15 g/mol. Its IUPAC name is 5,7-dichloro-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5,7-dichloro-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID114514531
Molecular FormulaC14H8Cl2N4
Molecular Weight303.15 g/mol
Exact Mass302.01
IUPAC Name5,7-dichloro-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1ccc(-c2c(Cl)nc3c(C#N)cnn3c2Cl)cc1
InChIInChI=1S/C14H8Cl2N4/c1-8-2-4-9(5-3-8)11-12(15)19-14-10(6-17)7-18-20(14)13(11)16/h2-5,7H,1H3
InChIKeyAJZYJYGCFDWBJA-UHFFFAOYSA-N
XLogP3.88
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-(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-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 104616021
7-(4-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 6462785
7-chloro-5-methyl-6-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 82274397
2-amino-4-chloropyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 53487763
5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1079878
7-methyl-6-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3,5-dicarbonitrile
CID 25022674
5-chloro-6-(2-chlorophenyl)-7-[methyl(2-methylpropyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 58630276
5,7-dichloro-2-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 104616048
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-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5,7-dichloro-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 114514531) is 5,7-dichloro-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5,7-dichloro-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5,7-dichloro-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1ccc(-c2c(Cl)nc3c(C#N)cnn3c2Cl)cc1.
What is the InChIKey of 5,7-dichloro-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is AJZYJYGCFDWBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N4/c1-8-2-4-9(5-3-8)11-12(15)19-14-10(6-17)7-18-20(14)13(11)16/h2-5,7H,1H3.
What are the key properties of 5,7-dichloro-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5,7-dichloro-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 303.15 g/mol, XLogP of 3.88, 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-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 114514531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).