2-(2,5-difluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C15H17F2N3OS — CID 42890807

IUPAC2-(2,5-difluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(Sc1cc(F)ccc1F)C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C15H17F2N3OS/c1-9(2)20-14(6-7-18-20)19-15(21)10(3)22-13-8-11(16)4-5-12(13)17/h4-10H,1-3H3,(H,19,21)
InChIKeyOTHGLIHGXXWYSW-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.86
Rot. Bonds5

About 2-(2,5-difluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide

2-(2,5-difluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 42890807) has the molecular formula C15H17F2N3OS and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID42890807
Molecular FormulaC15H17F2N3OS
Molecular Weight325.38 g/mol
Exact Mass325.11
IUPAC Name2-(2,5-difluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(Sc1cc(F)ccc1F)C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C15H17F2N3OS/c1-9(2)20-14(6-7-18-20)19-15(21)10(3)22-13-8-11(16)4-5-12(13)17/h4-10H,1-3H3,(H,19,21)
InChIKeyOTHGLIHGXXWYSW-UHFFFAOYSA-N
XLogP3.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 42890807) is 2-(2,5-difluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(Sc1cc(F)ccc1F)C(=O)Nc1ccnn1C(C)C.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is OTHGLIHGXXWYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3OS/c1-9(2)20-14(6-7-18-20)19-15(21)10(3)22-13-8-11(16)4-5-12(13)17/h4-10H,1-3H3,(H,19,21).
What are the key properties of 2-(2,5-difluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
2-(2,5-difluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 325.38 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 2-(2,5-difluorophenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 42890807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).