N-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide

C19H26N4O4S — CID 8561430

IUPACN-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide
SMILESCc1nn(CC(=O)N(C)Cc2ccccc2)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H26N4O4S/c1-15-19(28(25,26)22-9-11-27-12-10-22)16(2)23(20-15)14-18(24)21(3)13-17-7-5-4-6-8-17/h4-8H,9-14H2,1-3H3
InChIKeyKRRKLKONKZPAGR-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.18
Rot. Bonds6

About N-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide

N-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide (PubChem CID 8561430) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide
PubChem CID8561430
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC NameN-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide
SMILESCc1nn(CC(=O)N(C)Cc2ccccc2)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H26N4O4S/c1-15-19(28(25,26)22-9-11-27-12-10-22)16(2)23(20-15)14-18(24)21(3)13-17-7-5-4-6-8-17/h4-8H,9-14H2,1-3H3
InChIKeyKRRKLKONKZPAGR-UHFFFAOYSA-N
XLogP1.18
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)ethanone
CID 17411925
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluorophenyl)acetamide
CID 8561748
4-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]sulfonylmorpholine
CID 8668021
1-(4-tert-butylphenyl)-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)ethanone
CID 9473665
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 8562074
N-benzyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-propan-2-ylacetamide
CID 8891296
N-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-phenylpentanamide
CID 144925781
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-1-[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 41176177
N-[[4-(dimethylamino)phenyl]methyl]-3-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)propanamide
CID 46345195
N-cyclopentyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 40855209
4-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
CID 78814869
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 8561821

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide (CID 8561430) is N-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide is Cc1nn(CC(=O)N(C)Cc2ccccc2)c(C)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide?
The InChIKey is KRRKLKONKZPAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-15-19(28(25,26)22-9-11-27-12-10-22)16(2)23(20-15)14-18(24)21(3)13-17-7-5-4-6-8-17/h4-8H,9-14H2,1-3H3.
What are the key properties of N-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide?
N-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide has a molecular weight of 406.51 g/mol, XLogP of 1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 8561430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).