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

C16H12F3N3O2 — CID 68537133

IUPAC2-ethyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCCc1nn2c(-c3cccc(C(F)(F)F)c3)ccnc2c1C(=O)O
InChIInChI=1S/C16H12F3N3O2/c1-2-11-13(15(23)24)14-20-7-6-12(22(14)21-11)9-4-3-5-10(8-9)16(17,18)19/h3-8H,2H2,1H3,(H,23,24)
InChIKeyYQVVESIKFSVLDN-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.68
Rot. Bonds3

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

2-ethyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 68537133) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 2-ethyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID68537133
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name2-ethyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCCc1nn2c(-c3cccc(C(F)(F)F)c3)ccnc2c1C(=O)O
InChIInChI=1S/C16H12F3N3O2/c1-2-11-13(15(23)24)14-20-7-6-12(22(14)21-11)9-4-3-5-10(8-9)16(17,18)19/h3-8H,2H2,1H3,(H,23,24)
InChIKeyYQVVESIKFSVLDN-UHFFFAOYSA-N
XLogP3.68
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 2-ethyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 68537133) is 2-ethyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 2-ethyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CCc1nn2c(-c3cccc(C(F)(F)F)c3)ccnc2c1C(=O)O.
What is the InChIKey of 2-ethyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is YQVVESIKFSVLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-2-11-13(15(23)24)14-20-7-6-12(22(14)21-11)9-4-3-5-10(8-9)16(17,18)19/h3-8H,2H2,1H3,(H,23,24).
What are the key properties of 2-ethyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
2-ethyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 335.29 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 68537133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).