methyl 2-methyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C16H12F3N3O2 — CID 23329844

IUPACmethyl 2-methyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCOC(=O)c1c(C)nn2c(-c3cccc(C(F)(F)F)c3)ccnc12
InChIInChI=1S/C16H12F3N3O2/c1-9-13(15(23)24-2)14-20-7-6-12(22(14)21-9)10-4-3-5-11(8-10)16(17,18)19/h3-8H,1-2H3
InChIKeyGLUXGJSVSLZUKY-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.51
Rot. Bonds2

About methyl 2-methyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

methyl 2-methyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 23329844) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is methyl 2-methyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID23329844
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Namemethyl 2-methyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCOC(=O)c1c(C)nn2c(-c3cccc(C(F)(F)F)c3)ccnc12
InChIInChI=1S/C16H12F3N3O2/c1-9-13(15(23)24-2)14-20-7-6-12(22(14)21-9)10-4-3-5-11(8-10)16(17,18)19/h3-8H,1-2H3
InChIKeyGLUXGJSVSLZUKY-UHFFFAOYSA-N
XLogP3.51
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2,3,5,6-tetrafluoro-4-[3-(trifluoromethyl)phenyl]benzoate
CID 118820898
1-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
CID 23329841
3-(4-methylphenyl)-2-propyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 141325534
methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 69039624
methyl 3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634607
methyl 2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]benzoate
CID 134622903
N-[3-[3-(2-methoxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 58970140
methyl 5-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 131871458
methyl 4-[3-(trifluoromethyl)phenyl]benzoate
CID 1393419
ethyl 7-[3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 24969483
2-ethyl-7-[4-phenylmethoxy-3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 69178431
7-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 141183994

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of methyl 2-methyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 23329844) is methyl 2-methyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is COC(=O)c1c(C)nn2c(-c3cccc(C(F)(F)F)c3)ccnc12.
What is the InChIKey of methyl 2-methyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is GLUXGJSVSLZUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-9-13(15(23)24-2)14-20-7-6-12(22(14)21-9)10-4-3-5-11(8-10)16(17,18)19/h3-8H,1-2H3.
What are the key properties of methyl 2-methyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
methyl 2-methyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 335.29 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 23329844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).