2-(1-methylsulfonylpyrrolidin-3-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C15H19F3N4O2S — CID 110238548

IUPAC2-(1-methylsulfonylpyrrolidin-3-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc(C(F)(F)F)n2nc(C3CCN(S(C)(=O)=O)C3)cc2n1
InChIInChI=1S/C15H19F3N4O2S/c1-9(2)11-6-13(15(16,17)18)22-14(19-11)7-12(20-22)10-4-5-21(8-10)25(3,23)24/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyYTEQDHSNTZGYDW-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.62
Rot. Bonds3

About 2-(1-methylsulfonylpyrrolidin-3-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

2-(1-methylsulfonylpyrrolidin-3-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 110238548) has the molecular formula C15H19F3N4O2S and a molecular weight of 376.40 g/mol. Its IUPAC name is 2-(1-methylsulfonylpyrrolidin-3-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(1-methylsulfonylpyrrolidin-3-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID110238548
Molecular FormulaC15H19F3N4O2S
Molecular Weight376.40 g/mol
Exact Mass376.12
IUPAC Name2-(1-methylsulfonylpyrrolidin-3-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc(C(F)(F)F)n2nc(C3CCN(S(C)(=O)=O)C3)cc2n1
InChIInChI=1S/C15H19F3N4O2S/c1-9(2)11-6-13(15(16,17)18)22-14(19-11)7-12(20-22)10-4-5-21(8-10)25(3,23)24/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyYTEQDHSNTZGYDW-UHFFFAOYSA-N
XLogP2.62
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpyrrolidin-3-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(1-methylsulfonylpyrrolidin-3-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 110238548) is 2-(1-methylsulfonylpyrrolidin-3-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(1-methylsulfonylpyrrolidin-3-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(1-methylsulfonylpyrrolidin-3-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is CC(C)c1cc(C(F)(F)F)n2nc(C3CCN(S(C)(=O)=O)C3)cc2n1.
What is the InChIKey of 2-(1-methylsulfonylpyrrolidin-3-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is YTEQDHSNTZGYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2S/c1-9(2)11-6-13(15(16,17)18)22-14(19-11)7-12(20-22)10-4-5-21(8-10)25(3,23)24/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 2-(1-methylsulfonylpyrrolidin-3-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
2-(1-methylsulfonylpyrrolidin-3-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 376.40 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpyrrolidin-3-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 110238548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).