5-amino-2-(4-chlorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C14H10ClN5S — CID 10087082

IUPAC5-amino-2-(4-chlorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCSc1c(C#N)c(N)nc2cc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C14H10ClN5S/c1-21-14-10(7-16)13(17)18-12-6-11(19-20(12)14)8-2-4-9(15)5-3-8/h2-6H,1H3,(H2,17,18)
InChIKeyOEBKQKKPRPHZBH-UHFFFAOYSA-N
MW315.79 g/mol
LogP3.23
Rot. Bonds2

About 5-amino-2-(4-chlorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

5-amino-2-(4-chlorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 10087082) has the molecular formula C14H10ClN5S and a molecular weight of 315.79 g/mol. Its IUPAC name is 5-amino-2-(4-chlorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(4-chlorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID10087082
Molecular FormulaC14H10ClN5S
Molecular Weight315.79 g/mol
Exact Mass315.03
IUPAC Name5-amino-2-(4-chlorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCSc1c(C#N)c(N)nc2cc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C14H10ClN5S/c1-21-14-10(7-16)13(17)18-12-6-11(19-20(12)14)8-2-4-9(15)5-3-8/h2-6H,1H3,(H2,17,18)
InChIKeyOEBKQKKPRPHZBH-UHFFFAOYSA-N
XLogP3.23
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-amino-2-(4-chlorophenyl)-5-methylsulfanyl-4-nitropyrazolo[1,5-a]pyridine-6-carbonitrile
CID 15350915
2-amino-6-(4-chlorophenyl)-4-(2,4-difluorophenyl)pyridine-3-carbonitrile
CID 3379854
6-chloro-2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 784545
2-amino-4-[3-(4-chlorophenyl)phenyl]-6-phenylpyridine-3-carbonitrile
CID 139222472
2,4-diamino-6-methylsulfanylpyrimidine-5-carbonitrile
CID 16795548
5-amino-7-methylsulfanyl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
CID 71698524
7-(4-methoxyphenyl)-4-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-2-amine
CID 11033489
2-(4-chlorophenyl)-7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 3265312
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile
CID 3379851
2-amino-4-(2-chloro-6-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3367991
2-amino-6-(4-chlorophenyl)-4-(2,5-difluorophenyl)-5-methylpyridine-3-carbonitrile
CID 3317750
4-amino-6-(3-chlorophenyl)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 14579964

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-chlorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 5-amino-2-(4-chlorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 10087082) is 5-amino-2-(4-chlorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 5-amino-2-(4-chlorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 5-amino-2-(4-chlorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is CSc1c(C#N)c(N)nc2cc(-c3ccc(Cl)cc3)nn12.
What is the InChIKey of 5-amino-2-(4-chlorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is OEBKQKKPRPHZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5S/c1-21-14-10(7-16)13(17)18-12-6-11(19-20(12)14)8-2-4-9(15)5-3-8/h2-6H,1H3,(H2,17,18).
What are the key properties of 5-amino-2-(4-chlorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
5-amino-2-(4-chlorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 315.79 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-chlorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 10087082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).