methyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

C15H9F4N3O2 — CID 652458

IUPACmethyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C15H9F4N3O2/c1-24-14(23)10-7-20-22-12(15(17,18)19)6-11(21-13(10)22)8-2-4-9(16)5-3-8/h2-7H,1H3
InChIKeyXOEPHPISEVENKE-UHFFFAOYSA-N
MW339.25 g/mol
LogP3.34
Rot. Bonds2

About methyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

methyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 652458) has the molecular formula C15H9F4N3O2 and a molecular weight of 339.25 g/mol. Its IUPAC name is methyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID652458
Molecular FormulaC15H9F4N3O2
Molecular Weight339.25 g/mol
Exact Mass339.06
IUPAC Namemethyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C15H9F4N3O2/c1-24-14(23)10-7-20-22-12(15(17,18)19)6-11(21-13(10)22)8-2-4-9(16)5-3-8/h2-7H,1H3
InChIKeyXOEPHPISEVENKE-UHFFFAOYSA-N
XLogP3.34
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of methyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 652458) is methyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for methyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for methyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is COC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12.
What is the InChIKey of methyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is XOEPHPISEVENKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N3O2/c1-24-14(23)10-7-20-22-12(15(17,18)19)6-11(21-13(10)22)8-2-4-9(16)5-3-8/h2-7H,1H3.
What are the key properties of methyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate?
methyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 339.25 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 652458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).