1-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol

C15H12F3N3O — CID 23329841

IUPAC1-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
SMILESCC(O)c1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12
InChIInChI=1S/C15H12F3N3O/c1-9(22)12-8-20-21-13(5-6-19-14(12)21)10-3-2-4-11(7-10)15(16,17)18/h2-9,22H,1H3
InChIKeyKZPUOZFQDBJPKE-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.47
Rot. Bonds2

About 1-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol

1-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol (PubChem CID 23329841) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 1-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
PubChem CID23329841
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name1-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
SMILESCC(O)c1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12
InChIInChI=1S/C15H12F3N3O/c1-9(22)12-8-20-21-13(5-6-19-14(12)21)10-3-2-4-11(7-10)15(16,17)18/h2-9,22H,1H3
InChIKeyKZPUOZFQDBJPKE-UHFFFAOYSA-N
XLogP3.47
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-hydroxy-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboximidamide
CID 2741018
7-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 141183994
5-(trifluoromethyl)-3-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole
CID 10023842
3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103260
7-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 24969569
3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
CID 140652262
methyl 2-methyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 23329844
ethyl 7-[3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 24969483
N-[3-[3-(furan-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 46880227
7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 11149552
N-[3-[3-(2-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 58970140
3-(4-methylphenyl)-2-propyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 141325534

Frequently Asked Questions

What is the IUPAC name of 1-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
The IUPAC name of 1-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol (CID 23329841) is 1-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol.
What is the SMILES notation for 1-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
The canonical SMILES for 1-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol is CC(O)c1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12.
What is the InChIKey of 1-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
The InChIKey is KZPUOZFQDBJPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c1-9(22)12-8-20-21-13(5-6-19-14(12)21)10-3-2-4-11(7-10)15(16,17)18/h2-9,22H,1H3.
What are the key properties of 1-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol?
1-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol has a molecular weight of 307.28 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol is sourced from PubChem (CID 23329841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).