7-amino-3-bromo-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C8H6BrN5S — CID 21034637

IUPAC7-amino-3-bromo-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCSc1nc2c(Br)cnn2c(N)c1C#N
InChIInChI=1S/C8H6BrN5S/c1-15-8-4(2-10)6(11)14-7(13-8)5(9)3-12-14/h3H,11H2,1H3
InChIKeyUQXQBRRWAXYYDG-UHFFFAOYSA-N
MW284.14 g/mol
LogP1.67
Rot. Bonds1

About 7-amino-3-bromo-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-3-bromo-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 21034637) has the molecular formula C8H6BrN5S and a molecular weight of 284.14 g/mol. Its IUPAC name is 7-amino-3-bromo-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-3-bromo-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID21034637
Molecular FormulaC8H6BrN5S
Molecular Weight284.14 g/mol
Exact Mass282.95
IUPAC Name7-amino-3-bromo-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCSc1nc2c(Br)cnn2c(N)c1C#N
InChIInChI=1S/C8H6BrN5S/c1-15-8-4(2-10)6(11)14-7(13-8)5(9)3-12-14/h3H,11H2,1H3
InChIKeyUQXQBRRWAXYYDG-UHFFFAOYSA-N
XLogP1.67
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-bromo-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-3-bromo-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 21034637) is 7-amino-3-bromo-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-3-bromo-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-3-bromo-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is CSc1nc2c(Br)cnn2c(N)c1C#N.
What is the InChIKey of 7-amino-3-bromo-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is UQXQBRRWAXYYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN5S/c1-15-8-4(2-10)6(11)14-7(13-8)5(9)3-12-14/h3H,11H2,1H3.
What are the key properties of 7-amino-3-bromo-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-3-bromo-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 284.14 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-bromo-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 21034637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).