2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride

C8H5ClF3N3O2S — CID 18071327

IUPAC2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride
SMILESCc1nn2c(C(F)(F)F)ccnc2c1S(=O)(=O)Cl
InChIInChI=1S/C8H5ClF3N3O2S/c1-4-6(18(9,16)17)7-13-3-2-5(8(10,11)12)15(7)14-4/h2-3H,1H3
InChIKeyLCPUNKMOYWCIPO-UHFFFAOYSA-N
MW299.66 g/mol
LogP1.98
Rot. Bonds1

About 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride

2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride (PubChem CID 18071327) has the molecular formula C8H5ClF3N3O2S and a molecular weight of 299.66 g/mol. Its IUPAC name is 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride
PubChem CID18071327
Molecular FormulaC8H5ClF3N3O2S
Molecular Weight299.66 g/mol
Exact Mass298.97
IUPAC Name2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride
SMILESCc1nn2c(C(F)(F)F)ccnc2c1S(=O)(=O)Cl
InChIInChI=1S/C8H5ClF3N3O2S/c1-4-6(18(9,16)17)7-13-3-2-5(8(10,11)12)15(7)14-4/h2-3H,1H3
InChIKeyLCPUNKMOYWCIPO-UHFFFAOYSA-N
XLogP1.98
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.66
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride?
The IUPAC name of 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride (CID 18071327) is 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride.
What is the SMILES notation for 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride?
The canonical SMILES for 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride is Cc1nn2c(C(F)(F)F)ccnc2c1S(=O)(=O)Cl.
What is the InChIKey of 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride?
The InChIKey is LCPUNKMOYWCIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N3O2S/c1-4-6(18(9,16)17)7-13-3-2-5(8(10,11)12)15(7)14-4/h2-3H,1H3.
What are the key properties of 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride?
2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride has a molecular weight of 299.66 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-sulfonyl chloride is sourced from PubChem (CID 18071327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).