N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-1-phenylmethanesulfonamide

C21H25N3O2S — CID 118512852

IUPACN-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-1-phenylmethanesulfonamide
SMILESCC(C)Cc1cc(CNS(=O)(=O)Cc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C21H25N3O2S/c1-17(2)13-21-14-19(23-24(21)20-11-7-4-8-12-20)15-22-27(25,26)16-18-9-5-3-6-10-18/h3-12,14,17,22H,13,15-16H2,1-2H3
InChIKeyPHACPTSDJIDVHP-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.69
Rot. Bonds8

About N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-1-phenylmethanesulfonamide

N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-1-phenylmethanesulfonamide (PubChem CID 118512852) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-1-phenylmethanesulfonamide
PubChem CID118512852
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-1-phenylmethanesulfonamide
SMILESCC(C)Cc1cc(CNS(=O)(=O)Cc2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C21H25N3O2S/c1-17(2)13-21-14-19(23-24(21)20-11-7-4-8-12-20)15-22-27(25,26)16-18-9-5-3-6-10-18/h3-12,14,17,22H,13,15-16H2,1-2H3
InChIKeyPHACPTSDJIDVHP-UHFFFAOYSA-N
XLogP3.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,5R)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-(2-phenylacetyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 155813550
2-[methyl-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]amino]-N-(2-phenylethyl)acetamide
CID 155815083
2-(4-benzhydrylpiperazin-1-yl)-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]ethanamine
CID 68976732
N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 45278687
3-benzoyl-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86292938
1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methylamino]ethanone
CID 45279532
N-[(6-methylpyrimidin-4-yl)methyl]-1-phenylmethanesulfonamide
CID 122263674
1-phenyl-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]methanesulfonamide
CID 110785938
2-[4-(3,5-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]acetamide
CID 71585875
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylmethanesulfonamide
CID 71779496
N-(2-chloropropyl)-1-phenylmethanesulfonamide
CID 65033175
1-phenyl-N-(pyridin-4-ylmethyl)methanesulfonamide
CID 669282

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-1-phenylmethanesulfonamide (CID 118512852) is N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-1-phenylmethanesulfonamide is CC(C)Cc1cc(CNS(=O)(=O)Cc2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-1-phenylmethanesulfonamide?
The InChIKey is PHACPTSDJIDVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-17(2)13-21-14-19(23-24(21)20-11-7-4-8-12-20)15-22-27(25,26)16-18-9-5-3-6-10-18/h3-12,14,17,22H,13,15-16H2,1-2H3.
What are the key properties of N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-1-phenylmethanesulfonamide?
N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-1-phenylmethanesulfonamide has a molecular weight of 383.52 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 118512852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).