5-[(4-fluorophenyl)methyl]-3-hydroxy-N,6-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C16H17FN4O3 — CID 54725391

IUPAC5-[(4-fluorophenyl)methyl]-3-hydroxy-N,6-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCNC(=O)c1nn2c(c1O)C(=O)N(Cc1ccc(F)cc1)C(C)C2
InChIInChI=1S/C16H17FN4O3/c1-9-7-21-13(14(22)12(19-21)15(23)18-2)16(24)20(9)8-10-3-5-11(17)6-4-10/h3-6,9,22H,7-8H2,1-2H3,(H,18,23)
InChIKeyQWDUOLSSHKVMRK-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.13
Rot. Bonds3

About 5-[(4-fluorophenyl)methyl]-3-hydroxy-N,6-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

5-[(4-fluorophenyl)methyl]-3-hydroxy-N,6-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 54725391) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-3-hydroxy-N,6-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-3-hydroxy-N,6-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID54725391
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name5-[(4-fluorophenyl)methyl]-3-hydroxy-N,6-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCNC(=O)c1nn2c(c1O)C(=O)N(Cc1ccc(F)cc1)C(C)C2
InChIInChI=1S/C16H17FN4O3/c1-9-7-21-13(14(22)12(19-21)15(23)18-2)16(24)20(9)8-10-3-5-11(17)6-4-10/h3-6,9,22H,7-8H2,1-2H3,(H,18,23)
InChIKeyQWDUOLSSHKVMRK-UHFFFAOYSA-N
XLogP1.13
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-3-hydroxy-N,6-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-3-hydroxy-N,6-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 54725391) is 5-[(4-fluorophenyl)methyl]-3-hydroxy-N,6-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-3-hydroxy-N,6-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-3-hydroxy-N,6-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is CNC(=O)c1nn2c(c1O)C(=O)N(Cc1ccc(F)cc1)C(C)C2.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-3-hydroxy-N,6-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is QWDUOLSSHKVMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c1-9-7-21-13(14(22)12(19-21)15(23)18-2)16(24)20(9)8-10-3-5-11(17)6-4-10/h3-6,9,22H,7-8H2,1-2H3,(H,18,23).
What are the key properties of 5-[(4-fluorophenyl)methyl]-3-hydroxy-N,6-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
5-[(4-fluorophenyl)methyl]-3-hydroxy-N,6-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 332.34 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-3-hydroxy-N,6-dimethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 54725391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).