2,2-difluoro-N-(1H-pyrazol-4-yl)acetamide

C5H5F2N3O — CID 103514029

IUPAC2,2-difluoro-N-(1H-pyrazol-4-yl)acetamide
SMILESO=C(Nc1cn[nH]c1)C(F)F
InChIInChI=1S/C5H5F2N3O/c6-4(7)5(11)10-3-1-8-9-2-3/h1-2,4H,(H,8,9)(H,10,11)
InChIKeyHXXVNKNZAHSTAM-UHFFFAOYSA-N
MW161.11 g/mol
LogP0.61
Rot. Bonds2

About 2,2-difluoro-N-(1H-pyrazol-4-yl)acetamide

2,2-difluoro-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 103514029) has the molecular formula C5H5F2N3O and a molecular weight of 161.11 g/mol. Its IUPAC name is 2,2-difluoro-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(1H-pyrazol-4-yl)acetamide
PubChem CID103514029
Molecular FormulaC5H5F2N3O
Molecular Weight161.11 g/mol
Exact Mass161.04
IUPAC Name2,2-difluoro-N-(1H-pyrazol-4-yl)acetamide
SMILESO=C(Nc1cn[nH]c1)C(F)F
InChIInChI=1S/C5H5F2N3O/c6-4(7)5(11)10-3-1-8-9-2-3/h1-2,4H,(H,8,9)(H,10,11)
InChIKeyHXXVNKNZAHSTAM-UHFFFAOYSA-N
XLogP0.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-N-(1H-pyrazol-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Acetylaminopyrazole
CID 12346894
N-(1H-pyrazol-4-yl)but-2-ynamide hydrochloride
CID 155820287
N-(4-pyrazolyl)urea
CID 43540216
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-(5-chloro-1H-pyrazol-4-yl)-4,4,4-trifluorobutanamide
CID 89879106
N-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 132087676
N-(2,2-difluoroethyl)-1H-pyrazol-4-amine
CID 132109890
N-(fluoromethyl)-N-(1H-pyrazol-4-yl)formamide
CID 141335326
N-(1H-pyrazol-4-yl)-N-(trifluoromethyl)formamide
CID 141335327
N-(difluoromethyl)-N-(1H-pyrazol-4-yl)formamide
CID 141360431

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(1H-pyrazol-4-yl)acetamide (CID 103514029) is 2,2-difluoro-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(1H-pyrazol-4-yl)acetamide is O=C(Nc1cn[nH]c1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is HXXVNKNZAHSTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N3O/c6-4(7)5(11)10-3-1-8-9-2-3/h1-2,4H,(H,8,9)(H,10,11).
What are the key properties of 2,2-difluoro-N-(1H-pyrazol-4-yl)acetamide?
2,2-difluoro-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 161.11 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 103514029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).