5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid

C14H12FN3O3 — CID 24715986

IUPAC5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CCN(Cc1cccc(F)c1)C2=O
InChIInChI=1S/C14H12FN3O3/c15-10-3-1-2-9(6-10)8-17-4-5-18-12(13(17)19)7-11(16-18)14(20)21/h1-3,6-7H,4-5,8H2,(H,20,21)
InChIKeyIEJCMBARXGHPIP-UHFFFAOYSA-N
MW289.27 g/mol
LogP1.38
Rot. Bonds3

About 5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid

5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid (PubChem CID 24715986) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
PubChem CID24715986
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CCN(Cc1cccc(F)c1)C2=O
InChIInChI=1S/C14H12FN3O3/c15-10-3-1-2-9(6-10)8-17-4-5-18-12(13(17)19)7-11(16-18)14(20)21/h1-3,6-7H,4-5,8H2,(H,20,21)
InChIKeyIEJCMBARXGHPIP-UHFFFAOYSA-N
XLogP1.38
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid (CID 24715986) is 5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid is O=C(O)c1cc2n(n1)CCN(Cc1cccc(F)c1)C2=O.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The InChIKey is IEJCMBARXGHPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c15-10-3-1-2-9(6-10)8-17-4-5-18-12(13(17)19)7-11(16-18)14(20)21/h1-3,6-7H,4-5,8H2,(H,20,21).
What are the key properties of 5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid has a molecular weight of 289.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 24715986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).