4-oxo-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid

C15H12F3N3O3 — CID 24715533

IUPAC4-oxo-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CCN(Cc1ccc(C(F)(F)F)cc1)C2=O
InChIInChI=1S/C15H12F3N3O3/c16-15(17,18)10-3-1-9(2-4-10)8-20-5-6-21-12(13(20)22)7-11(19-21)14(23)24/h1-4,7H,5-6,8H2,(H,23,24)
InChIKeyOYSMUHNSYBZXCU-UHFFFAOYSA-N
MW339.27 g/mol
LogP2.26
Rot. Bonds3

About 4-oxo-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid

4-oxo-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid (PubChem CID 24715533) has the molecular formula C15H12F3N3O3 and a molecular weight of 339.27 g/mol. Its IUPAC name is 4-oxo-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
PubChem CID24715533
Molecular FormulaC15H12F3N3O3
Molecular Weight339.27 g/mol
Exact Mass339.08
IUPAC Name4-oxo-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CCN(Cc1ccc(C(F)(F)F)cc1)C2=O
InChIInChI=1S/C15H12F3N3O3/c16-15(17,18)10-3-1-9(2-4-10)8-20-5-6-21-12(13(20)22)7-11(19-21)14(23)24/h1-4,7H,5-6,8H2,(H,23,24)
InChIKeyOYSMUHNSYBZXCU-UHFFFAOYSA-N
XLogP2.26
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The IUPAC name of 4-oxo-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid (CID 24715533) is 4-oxo-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 4-oxo-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 4-oxo-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid is O=C(O)c1cc2n(n1)CCN(Cc1ccc(C(F)(F)F)cc1)C2=O.
What is the InChIKey of 4-oxo-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The InChIKey is OYSMUHNSYBZXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O3/c16-15(17,18)10-3-1-9(2-4-10)8-20-5-6-21-12(13(20)22)7-11(19-21)14(23)24/h1-4,7H,5-6,8H2,(H,23,24).
What are the key properties of 4-oxo-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
4-oxo-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid has a molecular weight of 339.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 24715533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).