3-(2,2-difluoroethoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

C10H15F2N3O2 — CID 103526217

IUPAC3-(2,2-difluoroethoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCC(NC(=O)CCOCC(F)F)c1cn[nH]c1
InChIInChI=1S/C10H15F2N3O2/c1-7(8-4-13-14-5-8)15-10(16)2-3-17-6-9(11)12/h4-5,7,9H,2-3,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyDSKDSDBPJLDIQA-UHFFFAOYSA-N
MW247.24 g/mol
LogP1.26
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

3-(2,2-difluoroethoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (PubChem CID 103526217) has the molecular formula C10H15F2N3O2 and a molecular weight of 247.24 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
PubChem CID103526217
Molecular FormulaC10H15F2N3O2
Molecular Weight247.24 g/mol
Exact Mass247.11
IUPAC Name3-(2,2-difluoroethoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCC(NC(=O)CCOCC(F)F)c1cn[nH]c1
InChIInChI=1S/C10H15F2N3O2/c1-7(8-4-13-14-5-8)15-10(16)2-3-17-6-9(11)12/h4-5,7,9H,2-3,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyDSKDSDBPJLDIQA-UHFFFAOYSA-N
XLogP1.26
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 51.26
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-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (CID 103526217) is 3-(2,2-difluoroethoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is CC(NC(=O)CCOCC(F)F)c1cn[nH]c1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The InChIKey is DSKDSDBPJLDIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O2/c1-7(8-4-13-14-5-8)15-10(16)2-3-17-6-9(11)12/h4-5,7,9H,2-3,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-(2,2-difluoroethoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
3-(2,2-difluoroethoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide has a molecular weight of 247.24 g/mol, XLogP of 1.26, 7 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-[1-(1H-pyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 103526217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).