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

C14H17F3N4O2S — CID 110238498

IUPAC5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(C3CCCN(S(C)(=O)=O)C3)cc2n1
InChIInChI=1S/C14H17F3N4O2S/c1-9-6-12(14(15,16)17)21-13(18-9)7-11(19-21)10-4-3-5-20(8-10)24(2,22)23/h6-7,10H,3-5,8H2,1-2H3
InChIKeyHRZRHTOPWZIEEG-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.20
Rot. Bonds2

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

5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 110238498) has the molecular formula C14H17F3N4O2S and a molecular weight of 362.38 g/mol. Its IUPAC name is 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID110238498
Molecular FormulaC14H17F3N4O2S
Molecular Weight362.38 g/mol
Exact Mass362.10
IUPAC Name5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(C3CCCN(S(C)(=O)=O)C3)cc2n1
InChIInChI=1S/C14H17F3N4O2S/c1-9-6-12(14(15,16)17)21-13(18-9)7-11(19-21)10-4-3-5-20(8-10)24(2,22)23/h6-7,10H,3-5,8H2,1-2H3
InChIKeyHRZRHTOPWZIEEG-UHFFFAOYSA-N
XLogP2.20
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2821597
N-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propyl]propane-1-sulfonamide
CID 47071875
4-(5-Isopropyl-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-1-piperazinesulfonamide
CID 56906558
N-[1-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanesulfonamide
CID 56911367
5-Isopropyl-2-methyl-7-(4-thiomorpholinyl)pyrazolo[1,5-a]pyrimidine
CID 56914391
5-ethyl-2,3-dimethyl-N-[1-(methylsulfonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70718913
7-(1,1-Dioxidothiomorpholin-4-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine
CID 70728801
7-(4,4-Difluoropiperidin-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine
CID 70731236
5-Methyl-2-(1-methylsulfonylpiperidin-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 92418555
N,N-dimethyl-4-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-sulfonamide
CID 92418558
2-(1-Methylsulfonylpyrrolidin-3-yl)-5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 110238548
5-Cyclopropyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 843690

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 110238498) is 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(C(F)(F)F)n2nc(C3CCCN(S(C)(=O)=O)C3)cc2n1.
What is the InChIKey of 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is HRZRHTOPWZIEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2S/c1-9-6-12(14(15,16)17)21-13(18-9)7-11(19-21)10-4-3-5-20(8-10)24(2,22)23/h6-7,10H,3-5,8H2,1-2H3.
What are the key properties of 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 362.38 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylsulfonylpiperidin-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 110238498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).