N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C26H26N4O2S — CID 25499499

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)S(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C26H26N4O2S/c1-28(33(31,32)29-17-16-21-10-8-9-13-23(21)19-29)18-24-20-30(25-14-6-3-7-15-25)27-26(24)22-11-4-2-5-12-22/h2-15,20H,16-19H2,1H3
InChIKeyPRWRJMRAVZGDTQ-UHFFFAOYSA-N
MW458.59 g/mol
LogP4.27
Rot. Bonds6

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 25499499) has the molecular formula C26H26N4O2S and a molecular weight of 458.59 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID25499499
Molecular FormulaC26H26N4O2S
Molecular Weight458.59 g/mol
Exact Mass458.18
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)S(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C26H26N4O2S/c1-28(33(31,32)29-17-16-21-10-8-9-13-23(21)19-29)18-24-20-30(25-14-6-3-7-15-25)27-26(24)22-11-4-2-5-12-22/h2-15,20H,16-19H2,1H3
InChIKeyPRWRJMRAVZGDTQ-UHFFFAOYSA-N
XLogP4.27
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide with MolForge

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Related Compounds

N-methyl-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 53499305
4-[(1,3-diphenylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
CID 46644099
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 31333798
(1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol
CID 31927363
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
CID 46523369
N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 8915030
N-benzyl-N-methyl-1,3-diphenylpyrazole-4-sulfonamide
CID 42348958
1-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]acetyl]pyrrolidin-2-one
CID 9452071
N-(2-hydroxypropyl)-N-phenyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 136525184
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 54579774
2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide
CID 8915077
N-(azetidin-3-yl)-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 66186857

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 25499499) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)S(=O)(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is PRWRJMRAVZGDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2S/c1-28(33(31,32)29-17-16-21-10-8-9-13-23(21)19-29)18-24-20-30(25-14-6-3-7-15-25)27-26(24)22-11-4-2-5-12-22/h2-15,20H,16-19H2,1H3.
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 458.59 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 25499499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).