2,2-difluoro-N-(2-methyl-5-oxo-1H-pyrazol-4-yl)propanamide

C7H9F2N3O2 — CID 167931570

IUPAC2,2-difluoro-N-(2-methyl-5-oxo-1H-pyrazol-4-yl)propanamide
SMILESCn1cc(NC(=O)C(C)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H9F2N3O2/c1-7(8,9)6(14)10-4-3-12(2)11-5(4)13/h3H,1-2H3,(H,10,14)(H,11,13)
InChIKeyFLKJMBXJGQVZEV-UHFFFAOYSA-N
MW205.16 g/mol
LogP0.31
Rot. Bonds2

About 2,2-difluoro-N-(2-methyl-5-oxo-1H-pyrazol-4-yl)propanamide

2,2-difluoro-N-(2-methyl-5-oxo-1H-pyrazol-4-yl)propanamide (PubChem CID 167931570) has the molecular formula C7H9F2N3O2 and a molecular weight of 205.16 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-methyl-5-oxo-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-methyl-5-oxo-1H-pyrazol-4-yl)propanamide
PubChem CID167931570
Molecular FormulaC7H9F2N3O2
Molecular Weight205.16 g/mol
Exact Mass205.07
IUPAC Name2,2-difluoro-N-(2-methyl-5-oxo-1H-pyrazol-4-yl)propanamide
SMILESCn1cc(NC(=O)C(C)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H9F2N3O2/c1-7(8,9)6(14)10-4-3-12(2)11-5(4)13/h3H,1-2H3,(H,10,14)(H,11,13)
InChIKeyFLKJMBXJGQVZEV-UHFFFAOYSA-N
XLogP0.31
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-methyl-5-oxo-1H-pyrazol-4-yl)propanamide?
The IUPAC name of 2,2-difluoro-N-(2-methyl-5-oxo-1H-pyrazol-4-yl)propanamide (CID 167931570) is 2,2-difluoro-N-(2-methyl-5-oxo-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 2,2-difluoro-N-(2-methyl-5-oxo-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 2,2-difluoro-N-(2-methyl-5-oxo-1H-pyrazol-4-yl)propanamide is Cn1cc(NC(=O)C(C)(F)F)c(=O)[nH]1.
What is the InChIKey of 2,2-difluoro-N-(2-methyl-5-oxo-1H-pyrazol-4-yl)propanamide?
The InChIKey is FLKJMBXJGQVZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2/c1-7(8,9)6(14)10-4-3-12(2)11-5(4)13/h3H,1-2H3,(H,10,14)(H,11,13).
What are the key properties of 2,2-difluoro-N-(2-methyl-5-oxo-1H-pyrazol-4-yl)propanamide?
2,2-difluoro-N-(2-methyl-5-oxo-1H-pyrazol-4-yl)propanamide has a molecular weight of 205.16 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-methyl-5-oxo-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 167931570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).