4,4,4-trifluoro-3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid

C16H12F3N3O2 — CID 66963582

IUPAC4,4,4-trifluoro-3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid
SMILESO=C(O)CC(c1ccccc1)(c1ccnc2ccnn12)C(F)(F)F
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)15(10-14(23)24,11-4-2-1-3-5-11)12-6-8-20-13-7-9-21-22(12)13/h1-9H,10H2,(H,23,24)
InChIKeyAASNKPIVHWNKJP-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.05
Rot. Bonds4

About 4,4,4-trifluoro-3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid

4,4,4-trifluoro-3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid (PubChem CID 66963582) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid.

Molecular Properties

Compound Name4,4,4-trifluoro-3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid
PubChem CID66963582
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name4,4,4-trifluoro-3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid
SMILESO=C(O)CC(c1ccccc1)(c1ccnc2ccnn12)C(F)(F)F
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)15(10-14(23)24,11-4-2-1-3-5-11)12-6-8-20-13-7-9-21-22(12)13/h1-9H,10H2,(H,23,24)
InChIKeyAASNKPIVHWNKJP-UHFFFAOYSA-N
XLogP3.05
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4,4-trifluoro-3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic 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 4,4,4-trifluoro-3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid?
The IUPAC name of 4,4,4-trifluoro-3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid (CID 66963582) is 4,4,4-trifluoro-3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid.
What is the SMILES notation for 4,4,4-trifluoro-3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid?
The canonical SMILES for 4,4,4-trifluoro-3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid is O=C(O)CC(c1ccccc1)(c1ccnc2ccnn12)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid?
The InChIKey is AASNKPIVHWNKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c17-16(18,19)15(10-14(23)24,11-4-2-1-3-5-11)12-6-8-20-13-7-9-21-22(12)13/h1-9H,10H2,(H,23,24).
What are the key properties of 4,4,4-trifluoro-3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid?
4,4,4-trifluoro-3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid has a molecular weight of 335.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-ylbutanoic acid is sourced from PubChem (CID 66963582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).