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

C12H14F3N5 — CID 136709569

IUPAC5-methyl-2-(1-methylimidazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC1CC(C(F)(F)F)n2nc(-c3nccn3C)cc2N1
InChIInChI=1S/C12H14F3N5/c1-7-5-9(12(13,14)15)20-10(17-7)6-8(18-20)11-16-3-4-19(11)2/h3-4,6-7,9,17H,5H2,1-2H3
InChIKeyVMMQBDKMFRXHTO-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.59
Rot. Bonds1

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

5-methyl-2-(1-methylimidazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136709569) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 5-methyl-2-(1-methylimidazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-(1-methylimidazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136709569
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC Name5-methyl-2-(1-methylimidazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC1CC(C(F)(F)F)n2nc(-c3nccn3C)cc2N1
InChIInChI=1S/C12H14F3N5/c1-7-5-9(12(13,14)15)20-10(17-7)6-8(18-20)11-16-3-4-19(11)2/h3-4,6-7,9,17H,5H2,1-2H3
InChIKeyVMMQBDKMFRXHTO-UHFFFAOYSA-N
XLogP2.59
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylimidazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709574
5-methyl-2-(5-methylthiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136840044
5-methyl-2-(1-methylimidazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709565
(5R,7S)-5-methyl-2-piperidin-4-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 137028271
2-(2-bicyclo[2.2.1]heptanyl)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841136
2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 136814180
(2,4,5-trimethylbenzoyl) 5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 135629815
2-(1-methylimidazol-2-yl)-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709577
[3-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 136761355
(4-methylthiadiazol-5-yl)-[4-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 136761313
(5R,7S)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 744111
[2-(4-fluorophenyl)-2-oxoethyl] (5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 136836216

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylimidazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-2-(1-methylimidazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136709569) is 5-methyl-2-(1-methylimidazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-2-(1-methylimidazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-2-(1-methylimidazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC1CC(C(F)(F)F)n2nc(-c3nccn3C)cc2N1.
What is the InChIKey of 5-methyl-2-(1-methylimidazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is VMMQBDKMFRXHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-7-5-9(12(13,14)15)20-10(17-7)6-8(18-20)11-16-3-4-19(11)2/h3-4,6-7,9,17H,5H2,1-2H3.
What are the key properties of 5-methyl-2-(1-methylimidazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
5-methyl-2-(1-methylimidazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 285.27 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylimidazol-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136709569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).