N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

C25H25N5O3S — CID 46492219

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CN(C)S(=O)(=O)c1cccnc1
InChIInChI=1S/C25H25N5O3S/c1-28(24(31)19-29(2)34(32,33)23-14-9-15-26-16-23)17-21-18-30(22-12-7-4-8-13-22)27-25(21)20-10-5-3-6-11-20/h3-16,18H,17,19H2,1-2H3
InChIKeyUOQDZUMAQZDXBK-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.21
Rot. Bonds8

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (PubChem CID 46492219) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
PubChem CID46492219
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CN(C)S(=O)(=O)c1cccnc1
InChIInChI=1S/C25H25N5O3S/c1-28(24(31)19-29(2)34(32,33)23-14-9-15-26-16-23)17-21-18-30(22-12-7-4-8-13-22)27-25(21)20-10-5-3-6-11-20/h3-16,18H,17,19H2,1-2H3
InChIKeyUOQDZUMAQZDXBK-UHFFFAOYSA-N
XLogP3.21
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
CID 46523369
N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 55683377
4-[(1,3-diphenylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
CID 46644099
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-cyclopropylpyridine-3-sulfonamide
CID 52576996
N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylpyridine-3-carboxamide
CID 32688509
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55823818
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide
CID 9140809
N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide
CID 56538169
2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
CID 55912722
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119689500
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30135460

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide (CID 46492219) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CN(C)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
The InChIKey is UOQDZUMAQZDXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3S/c1-28(24(31)19-29(2)34(32,33)23-14-9-15-26-16-23)17-21-18-30(22-12-7-4-8-13-22)27-25(21)20-10-5-3-6-11-20/h3-16,18H,17,19H2,1-2H3.
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide has a molecular weight of 475.57 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 46492219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).