3-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-yl)propanamide

C8H11F2N3O2 — CID 103209250

IUPAC3-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-yl)propanamide
SMILESO=C(CCOCC(F)F)Nc1ccn[nH]1
InChIInChI=1S/C8H11F2N3O2/c9-6(10)5-15-4-2-8(14)12-7-1-3-11-13-7/h1,3,6H,2,4-5H2,(H2,11,12,13,14)
InChIKeyKNBHAVOUTJGLCN-UHFFFAOYSA-N
MW219.19 g/mol
LogP1.02
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-yl)propanamide

3-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-yl)propanamide (PubChem CID 103209250) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-yl)propanamide
PubChem CID103209250
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC Name3-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-yl)propanamide
SMILESO=C(CCOCC(F)F)Nc1ccn[nH]1
InChIInChI=1S/C8H11F2N3O2/c9-6(10)5-15-4-2-8(14)12-7-1-3-11-13-7/h1,3,6H,2,4-5H2,(H2,11,12,13,14)
InChIKeyKNBHAVOUTJGLCN-UHFFFAOYSA-N
XLogP1.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-yl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-yl)propanamide (CID 103209250) is 3-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-yl)propanamide is O=C(CCOCC(F)F)Nc1ccn[nH]1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-yl)propanamide?
The InChIKey is KNBHAVOUTJGLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c9-6(10)5-15-4-2-8(14)12-7-1-3-11-13-7/h1,3,6H,2,4-5H2,(H2,11,12,13,14).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-yl)propanamide?
3-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-yl)propanamide has a molecular weight of 219.19 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 103209250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).