3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide

C8H11F2N3O — CID 126789290

IUPAC3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
SMILESCC(C)(C(=O)Nc1cn[nH]c1)C(F)F
InChIInChI=1S/C8H11F2N3O/c1-8(2,6(9)10)7(14)13-5-3-11-12-4-5/h3-4,6H,1-2H3,(H,11,12)(H,13,14)
InChIKeyYMKWGLVMGYPTET-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.64
Rot. Bonds3

About 3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide

3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide (PubChem CID 126789290) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
PubChem CID126789290
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
SMILESCC(C)(C(=O)Nc1cn[nH]c1)C(F)F
InChIInChI=1S/C8H11F2N3O/c1-8(2,6(9)10)7(14)13-5-3-11-12-4-5/h3-4,6H,1-2H3,(H,11,12)(H,13,14)
InChIKeyYMKWGLVMGYPTET-UHFFFAOYSA-N
XLogP1.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Acetylaminopyrazole
CID 12346894
N-(1H-pyrazol-4-yl)but-2-ynamide hydrochloride
CID 155820287
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CID 54592830
2,2,2-Trifluoro-N-(1H-pyrazol-4-yl)acetamide
CID 60999972
2,6-difluoro-N-(1H-pyrazol-4-yl)cyclohexa-1,5-diene-1-carboxamide
CID 144366670
N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide
CID 38016277
(2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 38016283
(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)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43540442
2-oxo-N-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 43540447
N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 45816287

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of 3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide (CID 126789290) is 3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide is CC(C)(C(=O)Nc1cn[nH]c1)C(F)F.
What is the InChIKey of 3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide?
The InChIKey is YMKWGLVMGYPTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-8(2,6(9)10)7(14)13-5-3-11-12-4-5/h3-4,6H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide?
3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide has a molecular weight of 203.19 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 126789290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).