N-[4-(difluoromethylsulfonyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

C20H19F2N3O3S — CID 34067099

IUPACN-[4-(difluoromethylsulfonyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C20H19F2N3O3S/c1-13-18(14(2)25(24-13)16-6-4-3-5-7-16)12-19(26)23-15-8-10-17(11-9-15)29(27,28)20(21)22/h3-11,20H,12H2,1-2H3,(H,23,26)
InChIKeyVKULLXLDFVLZGV-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.67
Rot. Bonds6

About N-[4-(difluoromethylsulfonyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

N-[4-(difluoromethylsulfonyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 34067099) has the molecular formula C20H19F2N3O3S and a molecular weight of 419.45 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
PubChem CID34067099
Molecular FormulaC20H19F2N3O3S
Molecular Weight419.45 g/mol
Exact Mass419.11
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C20H19F2N3O3S/c1-13-18(14(2)25(24-13)16-6-4-3-5-7-16)12-19(26)23-15-8-10-17(11-9-15)29(27,28)20(21)22/h3-11,20H,12H2,1-2H3,(H,23,26)
InChIKeyVKULLXLDFVLZGV-UHFFFAOYSA-N
XLogP3.67
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9043581
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 9226832
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 86865590
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 27830071
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 51211336
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide
CID 55762936
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 18200170
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 34050635
2-[4-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 31738486
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 37292964
N-(2-anilino-2-oxoethyl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55958417
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide
CID 46418937

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 34067099) is N-[4-(difluoromethylsulfonyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The InChIKey is VKULLXLDFVLZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3S/c1-13-18(14(2)25(24-13)16-6-4-3-5-7-16)12-19(26)23-15-8-10-17(11-9-15)29(27,28)20(21)22/h3-11,20H,12H2,1-2H3,(H,23,26).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
N-[4-(difluoromethylsulfonyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide has a molecular weight of 419.45 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 34067099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).