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

C9H13F2N3O — CID 126793655

IUPAC3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)butanamide
SMILESCC(F)(F)C(C)(C)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H13F2N3O/c1-8(2,9(3,10)11)7(15)14-6-4-12-13-5-6/h4-5H,1-3H3,(H,12,13)(H,14,15)
InChIKeyCJSZMEQYKQXOJL-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.03
Rot. Bonds3

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

3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)butanamide (PubChem CID 126793655) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is 3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound Name3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)butanamide
PubChem CID126793655
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)butanamide
SMILESCC(F)(F)C(C)(C)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H13F2N3O/c1-8(2,9(3,10)11)7(15)14-6-4-12-13-5-6/h4-5H,1-3H3,(H,12,13)(H,14,15)
InChIKeyCJSZMEQYKQXOJL-UHFFFAOYSA-N
XLogP2.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Acetylaminopyrazole
CID 12346894
1-amino-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide hydrochloride
CID 165469821
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CID 54592830
N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006229
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-(5-chloro-1H-pyrazol-4-yl)-4,4,4-trifluorobutanamide
CID 89879106
(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
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

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of 3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)butanamide (CID 126793655) is 3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for 3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for 3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)butanamide is CC(F)(F)C(C)(C)C(=O)Nc1cn[nH]c1.
What is the InChIKey of 3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)butanamide?
The InChIKey is CJSZMEQYKQXOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c1-8(2,9(3,10)11)7(15)14-6-4-12-13-5-6/h4-5H,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)butanamide?
3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)butanamide has a molecular weight of 217.22 g/mol, XLogP of 2.03, 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)butanamide is sourced from PubChem (CID 126793655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).