6-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride

C7H6ClN3O2S — CID 84726519

IUPAC6-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride
SMILESCc1cnc2c(S(=O)(=O)Cl)cnn2c1
InChIInChI=1S/C7H6ClN3O2S/c1-5-2-9-7-6(14(8,12)13)3-10-11(7)4-5/h2-4H,1H3
InChIKeyLZUWZFCOFNZEPF-UHFFFAOYSA-N
MW231.66 g/mol
LogP0.97
Rot. Bonds1

About 6-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride

6-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride (PubChem CID 84726519) has the molecular formula C7H6ClN3O2S and a molecular weight of 231.66 g/mol. Its IUPAC name is 6-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride
PubChem CID84726519
Molecular FormulaC7H6ClN3O2S
Molecular Weight231.66 g/mol
Exact Mass230.99
IUPAC Name6-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride
SMILESCc1cnc2c(S(=O)(=O)Cl)cnn2c1
InChIInChI=1S/C7H6ClN3O2S/c1-5-2-9-7-6(14(8,12)13)3-10-11(7)4-5/h2-4H,1H3
InChIKeyLZUWZFCOFNZEPF-UHFFFAOYSA-N
XLogP0.97
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.66
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride
CID 71669036
3-Bromo-6-methanesulfonylpyrazolo(1,5-a)pyrimidine
CID 165755509
2-Bromo-6-methanesulfonylpyrazolo[1,5-a]pyrimidine
CID 165990902
6-Fluoro-3-methylpyrazolo[1,5-a]pyrimidine
CID 143706873
2,3-Difluoro-6-methylpyrazolo[1,5-a]pyrimidine
CID 169958083
8-Methyl-[1,2,4]triazolo[1,5-c]pyrimidine
CID 329874
5,8-Dimethyl[1,2,4]triazolo[1,5-c]pyrimidine
CID 329876
6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride
CID 84730773
6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-sulfonyl chloride
CID 84730774
2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-sulfonyl chloride
CID 84813867
3-Fluoro-6-methylpyrazolo[1,5-a]pyrimidine
CID 130047035
3-Cyanopyrazolo[1,5-a]pyrimidine-6-sulfonyl fluoride
CID 165771086

Frequently Asked Questions

What is the IUPAC name of 6-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride?
The IUPAC name of 6-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride (CID 84726519) is 6-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride.
What is the SMILES notation for 6-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride?
The canonical SMILES for 6-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride is Cc1cnc2c(S(=O)(=O)Cl)cnn2c1.
What is the InChIKey of 6-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride?
The InChIKey is LZUWZFCOFNZEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O2S/c1-5-2-9-7-6(14(8,12)13)3-10-11(7)4-5/h2-4H,1H3.
What are the key properties of 6-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride?
6-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride has a molecular weight of 231.66 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride is sourced from PubChem (CID 84726519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).