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

C9H10ClN3O2S — CID 84806251

IUPAC2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride
SMILESCC(C)c1cc2ncc(S(=O)(=O)Cl)cn2n1
InChIInChI=1S/C9H10ClN3O2S/c1-6(2)8-3-9-11-4-7(16(10,14)15)5-13(9)12-8/h3-6H,1-2H3
InChIKeyJEWKSAKQZBKZEI-UHFFFAOYSA-N
MW259.72 g/mol
LogP1.78
Rot. Bonds2

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

2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride (PubChem CID 84806251) has the molecular formula C9H10ClN3O2S and a molecular weight of 259.72 g/mol. Its IUPAC name is 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride.

Molecular Properties

Compound Name2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride
PubChem CID84806251
Molecular FormulaC9H10ClN3O2S
Molecular Weight259.72 g/mol
Exact Mass259.02
IUPAC Name2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride
SMILESCC(C)c1cc2ncc(S(=O)(=O)Cl)cn2n1
InChIInChI=1S/C9H10ClN3O2S/c1-6(2)8-3-9-11-4-7(16(10,14)15)5-13(9)12-8/h3-6H,1-2H3
InChIKeyJEWKSAKQZBKZEI-UHFFFAOYSA-N
XLogP1.78
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.72
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride
CID 84795007
ethane;6-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 168939363
2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)propan-2-amine
CID 84786283
2-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 84786594
2-(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)propanoic acid
CID 84725727
1-(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile
CID 84790994
1-ethyl-3-propan-2-ylpyrazole-5-sulfonyl chloride
CID 62409302
2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 59747998
2-methyl-[1,2,4]triazolo[1,5-a]pyridine-6-sulfonyl chloride
CID 83823970
(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanesulfonyl chloride
CID 84802935
2-fluoro-6-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 145436390
1-(4-chlorophenyl)-3-propan-2-ylpyrazole-5-sulfonyl chloride
CID 55071003

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride?
The IUPAC name of 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride (CID 84806251) is 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride.
What is the SMILES notation for 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride?
The canonical SMILES for 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride is CC(C)c1cc2ncc(S(=O)(=O)Cl)cn2n1.
What is the InChIKey of 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride?
The InChIKey is JEWKSAKQZBKZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2S/c1-6(2)8-3-9-11-4-7(16(10,14)15)5-13(9)12-8/h3-6H,1-2H3.
What are the key properties of 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride?
2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride has a molecular weight of 259.72 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-sulfonyl chloride is sourced from PubChem (CID 84806251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).