4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C25H23F3N4O2 — CID 46078695

IUPAC4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NC1CCCc2ccccc21)c1cc2n(n1)CCN(Cc1ccc(C(F)(F)F)cc1)C2=O
InChIInChI=1S/C25H23F3N4O2/c26-25(27,28)18-10-8-16(9-11-18)15-31-12-13-32-22(24(31)34)14-21(30-32)23(33)29-20-7-3-5-17-4-1-2-6-19(17)20/h1-2,4,6,8-11,14,20H,3,5,7,12-13,15H2,(H,29,33)
InChIKeyXARMDISHGLYBBU-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.37
Rot. Bonds4

About 4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 46078695) has the molecular formula C25H23F3N4O2 and a molecular weight of 468.48 g/mol. Its IUPAC name is 4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID46078695
Molecular FormulaC25H23F3N4O2
Molecular Weight468.48 g/mol
Exact Mass468.18
IUPAC Name4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NC1CCCc2ccccc21)c1cc2n(n1)CCN(Cc1ccc(C(F)(F)F)cc1)C2=O
InChIInChI=1S/C25H23F3N4O2/c26-25(27,28)18-10-8-16(9-11-18)15-31-12-13-32-22(24(31)34)14-21(30-32)23(33)29-20-7-3-5-17-4-1-2-6-19(17)20/h1-2,4,6,8-11,14,20H,3,5,7,12-13,15H2,(H,29,33)
InChIKeyXARMDISHGLYBBU-UHFFFAOYSA-N
XLogP4.37
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

4-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 93008783
5-benzyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078705
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 32745572
4-oxo-N-(4-propan-2-ylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46169887
N-[(4-fluorophenyl)methyl]-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077354
6-N-cycloheptyl-5,6-dimethyl-4-oxo-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758477
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46642561
N-cyclohexyl-5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077269
5-benzyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42876383
2-(4-benzylpiperidine-1-carbonyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077340
1-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-3-carboxamide
CID 35324690
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 46078695) is 4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is O=C(NC1CCCc2ccccc21)c1cc2n(n1)CCN(Cc1ccc(C(F)(F)F)cc1)C2=O.
What is the InChIKey of 4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is XARMDISHGLYBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2/c26-25(27,28)18-10-8-16(9-11-18)15-31-12-13-32-22(24(31)34)14-21(30-32)23(33)29-20-7-3-5-17-4-1-2-6-19(17)20/h1-2,4,6,8-11,14,20H,3,5,7,12-13,15H2,(H,29,33).
What are the key properties of 4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 468.48 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 46078695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).