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

C14H14F3N3O — CID 136709902

IUPAC4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol
SMILESCC1CC(C(F)(F)F)n2nc(-c3ccc(O)cc3)cc2N1
InChIInChI=1S/C14H14F3N3O/c1-8-6-12(14(15,16)17)20-13(18-8)7-11(19-20)9-2-4-10(21)5-3-9/h2-5,7-8,12,18,21H,6H2,1H3
InChIKeyHDELIVZMAKVHCA-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.56
Rot. Bonds1

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

4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol (PubChem CID 136709902) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol
PubChem CID136709902
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol
SMILESCC1CC(C(F)(F)F)n2nc(-c3ccc(O)cc3)cc2N1
InChIInChI=1S/C14H14F3N3O/c1-8-6-12(14(15,16)17)20-13(18-8)7-11(19-20)9-2-4-10(21)5-3-9/h2-5,7-8,12,18,21H,6H2,1H3
InChIKeyHDELIVZMAKVHCA-UHFFFAOYSA-N
XLogP3.56
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol?
The IUPAC name of 4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol (CID 136709902) is 4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol is CC1CC(C(F)(F)F)n2nc(-c3ccc(O)cc3)cc2N1.
What is the InChIKey of 4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol?
The InChIKey is HDELIVZMAKVHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-8-6-12(14(15,16)17)20-13(18-8)7-11(19-20)9-2-4-10(21)5-3-9/h2-5,7-8,12,18,21H,6H2,1H3.
What are the key properties of 4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol?
4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol has a molecular weight of 297.28 g/mol, XLogP of 3.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]phenol is sourced from PubChem (CID 136709902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).