3,3,3-trifluoro-2-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]propanoic acid

C10H8F3N3O3 — CID 104734570

IUPAC3,3,3-trifluoro-2-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]propanoic acid
SMILESO=C(O)C(Cn1ccn2nccc2c1=O)C(F)(F)F
InChIInChI=1S/C10H8F3N3O3/c11-10(12,13)6(9(18)19)5-15-3-4-16-7(8(15)17)1-2-14-16/h1-4,6H,5H2,(H,18,19)
InChIKeyKPRDDTHUVQCVAQ-UHFFFAOYSA-N
MW275.19 g/mol
LogP0.76
Rot. Bonds3

About 3,3,3-trifluoro-2-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]propanoic acid

3,3,3-trifluoro-2-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]propanoic acid (PubChem CID 104734570) has the molecular formula C10H8F3N3O3 and a molecular weight of 275.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]propanoic acid
PubChem CID104734570
Molecular FormulaC10H8F3N3O3
Molecular Weight275.19 g/mol
Exact Mass275.05
IUPAC Name3,3,3-trifluoro-2-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]propanoic acid
SMILESO=C(O)C(Cn1ccn2nccc2c1=O)C(F)(F)F
InChIInChI=1S/C10H8F3N3O3/c11-10(12,13)6(9(18)19)5-15-3-4-16-7(8(15)17)1-2-14-16/h1-4,6H,5H2,(H,18,19)
InChIKeyKPRDDTHUVQCVAQ-UHFFFAOYSA-N
XLogP0.76
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-oxo-4H,5H-pyrazolo(1,5-d)(1,2,4)triazin-5-yl)acetic acid
CID 12814061
2-[3-(4-Methylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19623349
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 4534181
3-[3-(Methylcarbamoyl)pyrazol-1-yl]butanoic acid
CID 64777796
[2-(difluoromethyl)pyrazol-3-yl]-[(5S)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 51428515
4-{[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}-2-ethyl-1-isopropylpiperazine
CID 72914077
N-(2,2-difluoroethyl)-1-(difluoromethyl)-N-propylpyrazole-3-carboxamide
CID 75444492
(3S)-3-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]hexanoic acid
CID 100243078
4-[1-(2,2-Difluoroethyl)pyrazole-3-carbonyl]-1-(2-methylpropyl)piperazin-2-one
CID 132294894
2-[[2-(Cyclobutylmethyl)pyrazole-3-carbonyl]-cyclohexylamino]acetic acid
CID 136556226
N-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-2-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 137998122
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 4767725

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]propanoic acid (CID 104734570) is 3,3,3-trifluoro-2-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]propanoic acid is O=C(O)C(Cn1ccn2nccc2c1=O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]propanoic acid?
The InChIKey is KPRDDTHUVQCVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3/c11-10(12,13)6(9(18)19)5-15-3-4-16-7(8(15)17)1-2-14-16/h1-4,6H,5H2,(H,18,19).
What are the key properties of 3,3,3-trifluoro-2-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]propanoic acid?
3,3,3-trifluoro-2-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]propanoic acid has a molecular weight of 275.19 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]propanoic acid is sourced from PubChem (CID 104734570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).