N-[4-(difluoromethylsulfanyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C13H10F5N3OS — CID 26499257

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C13H10F5N3OS/c14-12(15)23-9-3-1-8(2-4-9)19-11(22)7-21-6-5-10(20-21)13(16,17)18/h1-6,12H,7H2,(H,19,22)
InChIKeyDEEWBEALYIQVST-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.86
Rot. Bonds5

About N-[4-(difluoromethylsulfanyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 26499257) has the molecular formula C13H10F5N3OS and a molecular weight of 351.30 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID26499257
Molecular FormulaC13H10F5N3OS
Molecular Weight351.30 g/mol
Exact Mass351.05
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C13H10F5N3OS/c14-12(15)23-9-3-1-8(2-4-9)19-11(22)7-21-6-5-10(20-21)13(16,17)18/h1-6,12H,7H2,(H,19,22)
InChIKeyDEEWBEALYIQVST-UHFFFAOYSA-N
XLogP3.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide
CID 5215341
1-[4-[3-(Trifluoromethyl)pyrazol-1-yl]phenyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 2809255
N-(2-cyclopentylsulfanylphenyl)-N'-(1-pyrazol-1-ylpropan-2-yl)oxamide
CID 47044363
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(methylsulfanyl)phenyl]acetamide
CID 1101552
N-[4-(aminosulfonyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 5210829
N-[2-(methylsulfanyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 813452
N-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2809212
[[1-amino-2-[3-(trifluoromethyl)pyrazol-1-yl]ethylidene]amino] N-[4-(trifluoromethylsulfanyl)phenyl]carbamate
CID 2809253
Cyto4H3
CID 5714496
N-(4-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9416216
N-p-fluorophenyl(1-pyrazolyl)acetamide
CID 16958290
2-(4-amino-1H-pyrazol-1-yl)-N-[4-(methylsulfanyl)phenyl]acetamide
CID 43382452

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 26499257) is N-[4-(difluoromethylsulfanyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is DEEWBEALYIQVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F5N3OS/c14-12(15)23-9-3-1-8(2-4-9)19-11(22)7-21-6-5-10(20-21)13(16,17)18/h1-6,12H,7H2,(H,19,22).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 351.30 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 26499257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).