3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-sulfonyl chloride

C9H7ClN4O2S — CID 15725414

IUPAC3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-sulfonyl chloride
SMILESCc1cc(C)n2nc(S(=O)(=O)Cl)c(C#N)c2n1
InChIInChI=1S/C9H7ClN4O2S/c1-5-3-6(2)14-8(12-5)7(4-11)9(13-14)17(10,15)16/h3H,1-2H3
InChIKeyMNDZFAPFIUIKPL-UHFFFAOYSA-N
MW270.70 g/mol
LogP1.15
Rot. Bonds1

About 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-sulfonyl chloride

3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-sulfonyl chloride (PubChem CID 15725414) has the molecular formula C9H7ClN4O2S and a molecular weight of 270.70 g/mol. Its IUPAC name is 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-sulfonyl chloride.

Molecular Properties

Compound Name3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-sulfonyl chloride
PubChem CID15725414
Molecular FormulaC9H7ClN4O2S
Molecular Weight270.70 g/mol
Exact Mass270.00
IUPAC Name3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-sulfonyl chloride
SMILESCc1cc(C)n2nc(S(=O)(=O)Cl)c(C#N)c2n1
InChIInChI=1S/C9H7ClN4O2S/c1-5-3-6(2)14-8(12-5)7(4-11)9(13-14)17(10,15)16/h3H,1-2H3
InChIKeyMNDZFAPFIUIKPL-UHFFFAOYSA-N
XLogP1.15
TPSA88.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.70
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The IUPAC name of 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-sulfonyl chloride (CID 15725414) is 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-sulfonyl chloride.
What is the SMILES notation for 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The canonical SMILES for 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-sulfonyl chloride is Cc1cc(C)n2nc(S(=O)(=O)Cl)c(C#N)c2n1.
What is the InChIKey of 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The InChIKey is MNDZFAPFIUIKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2S/c1-5-3-6(2)14-8(12-5)7(4-11)9(13-14)17(10,15)16/h3H,1-2H3.
What are the key properties of 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-sulfonyl chloride has a molecular weight of 270.70 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-sulfonyl chloride is sourced from PubChem (CID 15725414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).