3-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol

C11H16F3N3O — CID 136710312

IUPAC3-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol
SMILESCC1CC(C(F)(F)F)n2ncc(CCCO)c2N1
InChIInChI=1S/C11H16F3N3O/c1-7-5-9(11(12,13)14)17-10(16-7)8(6-15-17)3-2-4-18/h6-7,9,16,18H,2-5H2,1H3
InChIKeyJZUGWQROROTSQG-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.12
Rot. Bonds3

About 3-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol

3-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol (PubChem CID 136710312) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol
PubChem CID136710312
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name3-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol
SMILESCC1CC(C(F)(F)F)n2ncc(CCCO)c2N1
InChIInChI=1S/C11H16F3N3O/c1-7-5-9(11(12,13)14)17-10(16-7)8(6-15-17)3-2-4-18/h6-7,9,16,18H,2-5H2,1H3
InChIKeyJZUGWQROROTSQG-UHFFFAOYSA-N
XLogP2.12
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136837911
1-methyl-3-[[(5S,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]thiourea
CID 136786181
3-ethyl-5,7-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841186
(5R,7S)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 744111
3-(4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazolin-3-yl)propan-1-ol
CID 136710300
4-(2-ethoxyphenyl)-3-[(5S,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazole-5-thione
CID 136737061
5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136840331
ethyl (5S,7R)-5-cyclopropyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 135827669
ethane;3-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 170734184
4-[di(propan-2-yl)amino]-1-[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]butan-1-one
CID 147516970
(5R,7S)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 135726884
ethyl (5S,7S)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 135827678

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol?
The IUPAC name of 3-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol (CID 136710312) is 3-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol is CC1CC(C(F)(F)F)n2ncc(CCCO)c2N1.
What is the InChIKey of 3-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol?
The InChIKey is JZUGWQROROTSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-7-5-9(11(12,13)14)17-10(16-7)8(6-15-17)3-2-4-18/h6-7,9,16,18H,2-5H2,1H3.
What are the key properties of 3-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol?
3-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol has a molecular weight of 263.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]propan-1-ol is sourced from PubChem (CID 136710312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).