N-(2,2-difluoro-3-hydroxypropyl)-2-pyrazol-1-ylacetamide

C8H11F2N3O2 — CID 104857616

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCC(F)(F)CO
InChIInChI=1S/C8H11F2N3O2/c9-8(10,6-14)5-11-7(15)4-13-3-1-2-12-13/h1-3,14H,4-6H2,(H,11,15)
InChIKeyODLUMHNFXAQRSY-UHFFFAOYSA-N
MW219.19 g/mol
LogP-0.37
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-pyrazol-1-ylacetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-pyrazol-1-ylacetamide (PubChem CID 104857616) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-pyrazol-1-ylacetamide
PubChem CID104857616
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCC(F)(F)CO
InChIInChI=1S/C8H11F2N3O2/c9-8(10,6-14)5-11-7(15)4-13-3-1-2-12-13/h1-3,14H,4-6H2,(H,11,15)
InChIKeyODLUMHNFXAQRSY-UHFFFAOYSA-N
XLogP-0.37
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide
CID 104858205
N-(2,2-difluoro-3-hydroxypropyl)-2-(tetrazol-1-yl)acetamide
CID 104857271
2,2-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]propanoic acid
CID 81367964
N-(3-amino-2,2-difluoropropyl)-3-pyrazol-1-ylpropanamide
CID 114383611
2,2-difluoro-3-[(3-methyl-1-pyrazol-1-ylbutan-2-yl)amino]propan-1-ol
CID 114270884
2-pyrazol-1-yl-N-(2-sulfamoylethyl)acetamide
CID 61066533
2-pyrazol-1-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]acetamide
CID 138011796
N-[(4-bromothiophen-2-yl)methyl]-2-pyrazol-1-ylacetamide
CID 47250379
N-[4-(hydroxymethyl)cyclohexyl]-2-pyrazol-1-ylacetamide
CID 113384212
N-[[4-(aminomethyl)phenyl]methyl]-2-pyrazol-1-ylacetamide
CID 81090478
N-ethoxy-2-pyrazol-1-ylacetamide
CID 60700858
2-ethyl-2-[(2-pyrazol-1-ylacetyl)amino]butanoic acid
CID 79806989

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-pyrazol-1-ylacetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-pyrazol-1-ylacetamide (CID 104857616) is N-(2,2-difluoro-3-hydroxypropyl)-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-pyrazol-1-ylacetamide?
The InChIKey is ODLUMHNFXAQRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c9-8(10,6-14)5-11-7(15)4-13-3-1-2-12-13/h1-3,14H,4-6H2,(H,11,15).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-pyrazol-1-ylacetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-pyrazol-1-ylacetamide has a molecular weight of 219.19 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 104857616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).