ethyl 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate

C11H10F3N3O2 — CID 2768095

IUPACethyl 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(C)nn2c1C(F)(F)F
InChIInChI=1S/C11H10F3N3O2/c1-3-19-10(18)7-5-15-8-4-6(2)16-17(8)9(7)11(12,13)14/h4-5H,3H2,1-2H3
InChIKeyQFVCFNPWUHQPNR-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.23
Rot. Bonds2

About ethyl 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 2768095) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is ethyl 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID2768095
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Nameethyl 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(C)nn2c1C(F)(F)F
InChIInChI=1S/C11H10F3N3O2/c1-3-19-10(18)7-5-15-8-4-6(2)16-17(8)9(7)11(12,13)14/h4-5H,3H2,1-2H3
InChIKeyQFVCFNPWUHQPNR-UHFFFAOYSA-N
XLogP2.23
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 2768095) is ethyl 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2cc(C)nn2c1C(F)(F)F.
What is the InChIKey of ethyl 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is QFVCFNPWUHQPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c1-3-19-10(18)7-5-15-8-4-6(2)16-17(8)9(7)11(12,13)14/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 273.21 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 2768095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).