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

C7H6ClN3O2S — CID 84795007

IUPAC2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride
SMILESCc1cc2ncc(S(=O)(=O)Cl)cn2n1
InChIInChI=1S/C7H6ClN3O2S/c1-5-2-7-9-3-6(14(8,12)13)4-11(7)10-5/h2-4H,1H3
InChIKeyXABYQTGESXYFNZ-UHFFFAOYSA-N
MW231.66 g/mol
LogP0.97
Rot. Bonds1

About 2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride

2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride (PubChem CID 84795007) has the molecular formula C7H6ClN3O2S and a molecular weight of 231.66 g/mol. Its IUPAC name is 2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride.

Molecular Properties

Compound Name2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride
PubChem CID84795007
Molecular FormulaC7H6ClN3O2S
Molecular Weight231.66 g/mol
Exact Mass230.99
IUPAC Name2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride
SMILESCc1cc2ncc(S(=O)(=O)Cl)cn2n1
InChIInChI=1S/C7H6ClN3O2S/c1-5-2-7-9-3-6(14(8,12)13)4-11(7)10-5/h2-4H,1H3
InChIKeyXABYQTGESXYFNZ-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

2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride
CID 84806251
(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanesulfonyl chloride
CID 84802935
5-chloro-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-3-sulfonamide
CID 154848396
N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propane-1-sulfonamide
CID 123580553
6-ethyl-2-methylpyrazolo[1,5-a]pyrimidine
CID 12773561
2-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-sulfonyl chloride
CID 83823970
1,3-dimethyl-N-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[5,4-b]pyridine-5-sulfonamide
CID 167921366
2-methylimidazo[1,2-b]pyridazine-6-sulfonyl chloride
CID 168899055
4-(4-methylphenyl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
CID 90620838
6-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-3-ol
CID 129253802
3-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzenesulfonamide
CID 73168309
1-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile
CID 84774895

Frequently Asked Questions

What is the IUPAC name of 2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride?
The IUPAC name of 2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride (CID 84795007) is 2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride.
What is the SMILES notation for 2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride?
The canonical SMILES for 2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride is Cc1cc2ncc(S(=O)(=O)Cl)cn2n1.
What is the InChIKey of 2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride?
The InChIKey is XABYQTGESXYFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O2S/c1-5-2-7-9-3-6(14(8,12)13)4-11(7)10-5/h2-4H,1H3.
What are the key properties of 2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride?
2-methylpyrazolo[1,5-a]pyrimidine-6-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 2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride is sourced from PubChem (CID 84795007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).