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

C7H8F3N3OS — CID 38016283

IUPAC(2R)-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-/m1/s1
InChIKeyZNMMLACKLSZERL-SCSAIBSYSA-N
MW239.22 g/mol
LogP1.99
Rot. Bonds3

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

(2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide (PubChem CID 38016283) has the molecular formula C7H8F3N3OS and a molecular weight of 239.22 g/mol. Its IUPAC name is (2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide.

Molecular Properties

Compound Name(2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
PubChem CID38016283
Molecular FormulaC7H8F3N3OS
Molecular Weight239.22 g/mol
Exact Mass239.03
IUPAC Name(2R)-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-/m1/s1
InChIKeyZNMMLACKLSZERL-SCSAIBSYSA-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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Related Compounds

4-Acetylaminopyrazole
CID 12346894
3-amino-2-methyl-N-(1H-pyrazol-4-yl)propanamide
CID 54592830
3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
CID 126789290
2,2,2-Trifluoro-N-(1H-pyrazol-4-yl)acetamide
CID 60999972
N-(3-chloro-1H-pyrazol-4-yl)-3-((3,3,3-trifluoropropyl)thio)propanamide
CID 91754505
N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide
CID 38016277
(2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 38016288
3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide
CID 43430688
N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 45816287
N-(1-methylpyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide
CID 51078937
4,4,4-trifluoro-N-(1H-pyrazol-4-yl)butanamide
CID 65711581
N-(1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924535

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide?
The IUPAC name of (2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide (CID 38016283) is (2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide.
What is the SMILES notation for (2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide?
The canonical SMILES for (2R)-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 (2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide?
The InChIKey is ZNMMLACKLSZERL-SCSAIBSYSA-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-/m1/s1.
What are the key properties of (2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide?
(2R)-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 (2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide is sourced from PubChem (CID 38016283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).