N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide;formic acid

C24H24F3N3O4 — CID 155868477

IUPACN-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide;formic acid
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCC1OCCc2cn(Cc3ccccc3)nc21.O=CO
InChIInChI=1S/C23H22F3N3O2.CH2O2/c24-23(25,26)19-8-6-16(7-9-19)12-21(30)27-13-20-22-18(10-11-31-20)15-29(28-22)14-17-4-2-1-3-5-17;2-1-3/h1-9,15,20H,10-14H2,(H,27,30);1H,(H,2,3)
InChIKeyDWNJHEBQZNIMEH-UHFFFAOYSA-N
MW475.47 g/mol
LogP3.62
Rot. Bonds6

About N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide;formic acid

N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide;formic acid (PubChem CID 155868477) has the molecular formula C24H24F3N3O4 and a molecular weight of 475.47 g/mol. Its IUPAC name is N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide;formic acid.

Molecular Properties

Compound NameN-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide;formic acid
PubChem CID155868477
Molecular FormulaC24H24F3N3O4
Molecular Weight475.47 g/mol
Exact Mass475.17
IUPAC NameN-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide;formic acid
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCC1OCCc2cn(Cc3ccccc3)nc21.O=CO
InChIInChI=1S/C23H22F3N3O2.CH2O2/c24-23(25,26)19-8-6-16(7-9-19)12-21(30)27-13-20-22-18(10-11-31-20)15-29(28-22)14-17-4-2-1-3-5-17;2-1-3/h1-9,15,20H,10-14H2,(H,27,30);1H,(H,2,3)
InChIKeyDWNJHEBQZNIMEH-UHFFFAOYSA-N
XLogP3.62
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-phenylacetamide;2,2,2-trifluoroacetic acid
CID 155866200
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(2-fluorophenyl)acetamide;2,2,2-trifluoroacetic acid
CID 155866201
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(oxan-4-yl)acetamide
CID 131681466
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 131681483
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3,4-difluorobenzamide;formic acid
CID 155868478
2-acetamido-N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]acetamide;2,2,2-trifluoroacetic acid
CID 155866234
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-1-fluorocyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155865008
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-methylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155866159
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-1-methylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155866254
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide;bis(2,2,2-trifluoroacetic acid)
CID 155865938
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide;formic acid
CID 171688723
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]morpholine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155867834

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide;formic acid?
The IUPAC name of N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide;formic acid (CID 155868477) is N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide;formic acid.
What is the SMILES notation for N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide;formic acid?
The canonical SMILES for N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide;formic acid is O=C(Cc1ccc(C(F)(F)F)cc1)NCC1OCCc2cn(Cc3ccccc3)nc21.O=CO.
What is the InChIKey of N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide;formic acid?
The InChIKey is DWNJHEBQZNIMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2.CH2O2/c24-23(25,26)19-8-6-16(7-9-19)12-21(30)27-13-20-22-18(10-11-31-20)15-29(28-22)14-17-4-2-1-3-5-17;2-1-3/h1-9,15,20H,10-14H2,(H,27,30);1H,(H,2,3).
What are the key properties of N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide;formic acid?
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide;formic acid has a molecular weight of 475.47 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide;formic acid is sourced from PubChem (CID 155868477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).