3,3-difluoro-2-methyl-N-(1H-pyrazol-4-yl)butanamide

C8H11F2N3O — CID 126795469

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

About 3,3-difluoro-2-methyl-N-(1H-pyrazol-4-yl)butanamide

3,3-difluoro-2-methyl-N-(1H-pyrazol-4-yl)butanamide (PubChem CID 126795469) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 3,3-difluoro-2-methyl-N-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound Name3,3-difluoro-2-methyl-N-(1H-pyrazol-4-yl)butanamide
PubChem CID126795469
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name3,3-difluoro-2-methyl-N-(1H-pyrazol-4-yl)butanamide
SMILESCC(C(=O)Nc1cn[nH]c1)C(C)(F)F
InChIInChI=1S/C8H11F2N3O/c1-5(8(2,9)10)7(14)13-6-3-11-12-4-6/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKeyWFBDFKFWZHZYDO-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
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CID 155820287
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CID 165469821
3-amino-2-methyl-N-(1H-pyrazol-4-yl)propanamide
CID 54592830
N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006229
3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
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2,2,2-Trifluoro-N-(1H-pyrazol-4-yl)acetamide
CID 60999972
N-(5-chloro-1H-pyrazol-4-yl)-4,4,4-trifluorobutanamide
CID 89879106
N-(1H-pyrazol-4-yl)cyclohexanecarboxamide
CID 43429406
(2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 38016283
(2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 38016288
5-oxo-N-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43429719

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methyl-N-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of 3,3-difluoro-2-methyl-N-(1H-pyrazol-4-yl)butanamide (CID 126795469) is 3,3-difluoro-2-methyl-N-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for 3,3-difluoro-2-methyl-N-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for 3,3-difluoro-2-methyl-N-(1H-pyrazol-4-yl)butanamide is CC(C(=O)Nc1cn[nH]c1)C(C)(F)F.
What is the InChIKey of 3,3-difluoro-2-methyl-N-(1H-pyrazol-4-yl)butanamide?
The InChIKey is WFBDFKFWZHZYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-5(8(2,9)10)7(14)13-6-3-11-12-4-6/h3-5H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3,3-difluoro-2-methyl-N-(1H-pyrazol-4-yl)butanamide?
3,3-difluoro-2-methyl-N-(1H-pyrazol-4-yl)butanamide 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-methyl-N-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 126795469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).