2-(1-methoxyethyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C17H14F3N3O3 — CID 23329867

IUPAC2-(1-methoxyethyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOC(C)c1nn2c(-c3cccc(C(F)(F)F)c3)ccnc2c1C(=O)O
InChIInChI=1S/C17H14F3N3O3/c1-9(26-2)14-13(16(24)25)15-21-7-6-12(23(15)22-14)10-4-3-5-11(8-10)17(18,19)20/h3-9H,1-2H3,(H,24,25)
InChIKeyNQBVTPGUBUAHKU-UHFFFAOYSA-N
MW365.31 g/mol
LogP3.82
Rot. Bonds4

About 2-(1-methoxyethyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

2-(1-methoxyethyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 23329867) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxyethyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID23329867
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC Name2-(1-methoxyethyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOC(C)c1nn2c(-c3cccc(C(F)(F)F)c3)ccnc2c1C(=O)O
InChIInChI=1S/C17H14F3N3O3/c1-9(26-2)14-13(16(24)25)15-21-7-6-12(23(15)22-14)10-4-3-5-11(8-10)17(18,19)20/h3-9H,1-2H3,(H,24,25)
InChIKeyNQBVTPGUBUAHKU-UHFFFAOYSA-N
XLogP3.82
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 2-(1-methoxyethyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 23329867) is 2-(1-methoxyethyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 2-(1-methoxyethyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 2-(1-methoxyethyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is COC(C)c1nn2c(-c3cccc(C(F)(F)F)c3)ccnc2c1C(=O)O.
What is the InChIKey of 2-(1-methoxyethyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is NQBVTPGUBUAHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c1-9(26-2)14-13(16(24)25)15-21-7-6-12(23(15)22-14)10-4-3-5-11(8-10)17(18,19)20/h3-9H,1-2H3,(H,24,25).
What are the key properties of 2-(1-methoxyethyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
2-(1-methoxyethyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 365.31 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 23329867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).