5-methyl-7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C15H24F3N3 — CID 136837369

IUPAC5-methyl-7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC1CC(C(F)(F)F)n2nc(CC(C)C(C)(C)C)cc2N1
InChIInChI=1S/C15H24F3N3/c1-9(14(3,4)5)6-11-8-13-19-10(2)7-12(15(16,17)18)21(13)20-11/h8-10,12,19H,6-7H2,1-5H3
InChIKeyWQAWWMXETNBQEZ-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.42
Rot. Bonds2

About 5-methyl-7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

5-methyl-7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136837369) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-methyl-7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136837369
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC Name5-methyl-7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC1CC(C(F)(F)F)n2nc(CC(C)C(C)(C)C)cc2N1
InChIInChI=1S/C15H24F3N3/c1-9(14(3,4)5)6-11-8-13-19-10(2)7-12(15(16,17)18)21(13)20-11/h8-10,12,19H,6-7H2,1-5H3
InChIKeyWQAWWMXETNBQEZ-UHFFFAOYSA-N
XLogP4.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R,7R)-5-methyl-2-(1-methylsulfonylpiperidin-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136761292
(5R,7R)-2-(1-ethylsulfonylpiperidin-4-yl)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136761293
N,N-dimethyl-4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-sulfonamide
CID 136761296
1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]butan-1-one
CID 136761299
2,2-dimethyl-1-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 136761302
5-Cyclopropyl-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135645608
1-methyl-3-(piperidin-4-yl)-1H-pyrazol-5-amine
CID 83409076
5-(1,3-dimethyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135646589
5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135646590
5-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135646591
7-(difluoromethyl)-5-(1,3-dimethyl-1H-pyrazol-4-yl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 4773372
5-(1,3-Dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 171314919

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136837369) is 5-methyl-7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC1CC(C(F)(F)F)n2nc(CC(C)C(C)(C)C)cc2N1.
What is the InChIKey of 5-methyl-7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is WQAWWMXETNBQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3/c1-9(14(3,4)5)6-11-8-13-19-10(2)7-12(15(16,17)18)21(13)20-11/h8-10,12,19H,6-7H2,1-5H3.
What are the key properties of 5-methyl-7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
5-methyl-7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 303.37 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(trifluoromethyl)-2-(2,3,3-trimethylbutyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136837369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).