N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide

C15H17F2N3OS — CID 134025818

IUPACN-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide
SMILESCCC(C)n1nccc1NC(=O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C15H17F2N3OS/c1-3-10(2)20-13(8-9-18-20)19-14(21)11-4-6-12(7-5-11)22-15(16)17/h4-10,15H,3H2,1-2H3,(H,19,21)
InChIKeyJHMXXCLRZVFOJH-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.42
Rot. Bonds6

About N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide

N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide (PubChem CID 134025818) has the molecular formula C15H17F2N3OS and a molecular weight of 325.38 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide
PubChem CID134025818
Molecular FormulaC15H17F2N3OS
Molecular Weight325.38 g/mol
Exact Mass325.11
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide
SMILESCCC(C)n1nccc1NC(=O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C15H17F2N3OS/c1-3-10(2)20-13(8-9-18-20)19-14(21)11-4-6-12(7-5-11)22-15(16)17/h4-10,15H,3H2,1-2H3,(H,19,21)
InChIKeyJHMXXCLRZVFOJH-UHFFFAOYSA-N
XLogP4.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide
CID 56725907
N-(2-butan-2-ylpyrazol-3-yl)-3,4,5-triethoxybenzamide
CID 78778639
N-(2-butan-2-ylpyrazol-3-yl)thiophene-3-carboxamide
CID 134025810
N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide
CID 78778552
N-(2-butan-2-ylpyrazol-3-yl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 78829285
N-(2-butan-2-ylpyrazol-3-yl)-4-(2-oxopiperidin-1-yl)benzamide
CID 134041028
N-(2-butan-2-ylpyrazol-3-yl)-3,5-dichloro-4-methoxybenzamide
CID 134049613
N-(2-butan-2-ylpyrazol-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 78824297
N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-3-(cyanomethylsulfanyl)benzamide
CID 96551734
N-(2-butan-2-ylpyrazol-3-yl)-3-(cyanomethylsulfanyl)benzamide
CID 71861067
N-(2-butan-2-ylpyrazol-3-yl)-2-chlorobenzamide
CID 78793939
N-(2-butan-2-ylpyrazol-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 78840816

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide (CID 134025818) is N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide is CCC(C)n1nccc1NC(=O)c1ccc(SC(F)F)cc1.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide?
The InChIKey is JHMXXCLRZVFOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3OS/c1-3-10(2)20-13(8-9-18-20)19-14(21)11-4-6-12(7-5-11)22-15(16)17/h4-10,15H,3H2,1-2H3,(H,19,21).
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide?
N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide has a molecular weight of 325.38 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide is sourced from PubChem (CID 134025818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).