N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(dimethylamino)benzamide

C23H26N4O2 — CID 131681401

IUPACN-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NCC2OCCc3cn(Cc4ccccc4)nc32)c1
InChIInChI=1S/C23H26N4O2/c1-26(2)20-10-6-9-18(13-20)23(28)24-14-21-22-19(11-12-29-21)16-27(25-22)15-17-7-4-3-5-8-17/h3-10,13,16,21H,11-12,14-15H2,1-2H3,(H,24,28)
InChIKeyIHUCGBUZVGXUKU-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.04
Rot. Bonds6

About N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(dimethylamino)benzamide

N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(dimethylamino)benzamide (PubChem CID 131681401) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(dimethylamino)benzamide
PubChem CID131681401
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NCC2OCCc3cn(Cc4ccccc4)nc32)c1
InChIInChI=1S/C23H26N4O2/c1-26(2)20-10-6-9-18(13-20)23(28)24-14-21-22-19(11-12-29-21)16-27(25-22)15-17-7-4-3-5-8-17/h3-10,13,16,21H,11-12,14-15H2,1-2H3,(H,24,28)
InChIKeyIHUCGBUZVGXUKU-UHFFFAOYSA-N
XLogP3.04
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-methoxy-4-methylbenzamide
CID 131682787
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3,4-difluorobenzamide;formic acid
CID 155868478
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]-2-(trifluoromethyl)pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155866017
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2,5-difluorobenzamide
CID 131682862
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-hydroxy-2,2-dimethylpropanamide
CID 131681480
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-2-phenylacetamide;2,2,2-trifluoroacetic acid
CID 155866200
1-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 131682668
N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide
CID 78799093
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-5-tert-butyl-2-methylfuran-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155866299
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]oxane-4-carboxamide
CID 131681343
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

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(dimethylamino)benzamide (CID 131681401) is N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)NCC2OCCc3cn(Cc4ccccc4)nc32)c1.
What is the InChIKey of N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(dimethylamino)benzamide?
The InChIKey is IHUCGBUZVGXUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-26(2)20-10-6-9-18(13-20)23(28)24-14-21-22-19(11-12-29-21)16-27(25-22)15-17-7-4-3-5-8-17/h3-10,13,16,21H,11-12,14-15H2,1-2H3,(H,24,28).
What are the key properties of N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(dimethylamino)benzamide?
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(dimethylamino)benzamide has a molecular weight of 390.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 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]-3-(dimethylamino)benzamide is sourced from PubChem (CID 131681401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).