3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-yl-3-(trifluoromethoxy)propanoic acid

C16H12F3N3O3 — CID 66964114

IUPAC3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-yl-3-(trifluoromethoxy)propanoic acid
SMILESO=C(O)CC(OC(F)(F)F)(c1ccccc1)c1ccnc2ccnn12
InChIInChI=1S/C16H12F3N3O3/c17-16(18,19)25-15(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)
InChIKeyCUAPHKADBJPXLR-UHFFFAOYSA-N
MW351.28 g/mol
LogP2.98
Rot. Bonds5

About 3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-yl-3-(trifluoromethoxy)propanoic acid

3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-yl-3-(trifluoromethoxy)propanoic acid (PubChem CID 66964114) has the molecular formula C16H12F3N3O3 and a molecular weight of 351.28 g/mol. Its IUPAC name is 3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-yl-3-(trifluoromethoxy)propanoic acid.

Molecular Properties

Compound Name3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-yl-3-(trifluoromethoxy)propanoic acid
PubChem CID66964114
Molecular FormulaC16H12F3N3O3
Molecular Weight351.28 g/mol
Exact Mass351.08
IUPAC Name3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-yl-3-(trifluoromethoxy)propanoic acid
SMILESO=C(O)CC(OC(F)(F)F)(c1ccccc1)c1ccnc2ccnn12
InChIInChI=1S/C16H12F3N3O3/c17-16(18,19)25-15(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)
InChIKeyCUAPHKADBJPXLR-UHFFFAOYSA-N
XLogP2.98
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-phenyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2535053
6-(4-Fluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600249
6-(2,4-Difluorophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600250
1-(Pyridin-4-ylmethyl)-6-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600251
2-[5-Methyl-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 66692937
1-ethyl-6-phenyl-1H-pyrazolo(3,4-b)pyridine-4-carboxylic acid
CID 16227432
1-benzyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16227654
3-Ethoxycarbonyl-1-(2-fluorbenzyl)-1H-pyrazolo-(3,4,5)-pyridin
CID 11162345
5-Phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 25248734
7-Phenylpyrazolo(1,5-a)pyrimidine-5-carboxylic acid
CID 84150130
5-(4-Fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 19916322
US20250092066, Example 45
CID 176510958

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-yl-3-(trifluoromethoxy)propanoic acid?
The IUPAC name of 3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-yl-3-(trifluoromethoxy)propanoic acid (CID 66964114) is 3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-yl-3-(trifluoromethoxy)propanoic acid.
What is the SMILES notation for 3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-yl-3-(trifluoromethoxy)propanoic acid?
The canonical SMILES for 3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-yl-3-(trifluoromethoxy)propanoic acid is O=C(O)CC(OC(F)(F)F)(c1ccccc1)c1ccnc2ccnn12.
What is the InChIKey of 3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-yl-3-(trifluoromethoxy)propanoic acid?
The InChIKey is CUAPHKADBJPXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3/c17-16(18,19)25-15(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 3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-yl-3-(trifluoromethoxy)propanoic acid?
3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-yl-3-(trifluoromethoxy)propanoic acid has a molecular weight of 351.28 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-pyrazolo[1,5-a]pyrimidin-7-yl-3-(trifluoromethoxy)propanoic acid is sourced from PubChem (CID 66964114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).