(2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide

C7H8F3N3OS — CID 38016288

IUPAC(2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
SMILESC[C@H](SC(F)(F)F)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C7H8F3N3OS/c1-4(15-7(8,9)10)6(14)13-5-2-11-12-3-5/h2-4H,1H3,(H,11,12)(H,13,14)/t4-/m0/s1
InChIKeyZNMMLACKLSZERL-BYPYZUCNSA-N
MW239.22 g/mol
LogP1.99
Rot. Bonds3

About (2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide

(2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide (PubChem CID 38016288) has the molecular formula C7H8F3N3OS and a molecular weight of 239.22 g/mol. Its IUPAC name is (2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide.

Molecular Properties

Compound Name(2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
PubChem CID38016288
Molecular FormulaC7H8F3N3OS
Molecular Weight239.22 g/mol
Exact Mass239.03
IUPAC Name(2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
SMILESC[C@H](SC(F)(F)F)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C7H8F3N3OS/c1-4(15-7(8,9)10)6(14)13-5-2-11-12-3-5/h2-4H,1H3,(H,11,12)(H,13,14)/t4-/m0/s1
InChIKeyZNMMLACKLSZERL-BYPYZUCNSA-N
XLogP1.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide?
The IUPAC name of (2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide (CID 38016288) is (2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide.
What is the SMILES notation for (2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide?
The canonical SMILES for (2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide is C[C@H](SC(F)(F)F)C(=O)Nc1cn[nH]c1.
What is the InChIKey of (2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide?
The InChIKey is ZNMMLACKLSZERL-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H8F3N3OS/c1-4(15-7(8,9)10)6(14)13-5-2-11-12-3-5/h2-4H,1H3,(H,11,12)(H,13,14)/t4-/m0/s1.
What are the key properties of (2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide?
(2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide has a molecular weight of 239.22 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide is sourced from PubChem (CID 38016288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).