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

C8H8F5N3O — CID 106216846

IUPAC2,2,3,3,3-pentafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCC(NC(=O)C(F)(F)C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C8H8F5N3O/c1-4(5-2-14-15-3-5)16-6(17)7(9,10)8(11,12)13/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyRKXGPRKMUGWVLM-UHFFFAOYSA-N
MW257.16 g/mol
LogP1.78
Rot. Bonds3

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

2,2,3,3,3-pentafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (PubChem CID 106216846) has the molecular formula C8H8F5N3O and a molecular weight of 257.16 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
PubChem CID106216846
Molecular FormulaC8H8F5N3O
Molecular Weight257.16 g/mol
Exact Mass257.06
IUPAC Name2,2,3,3,3-pentafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCC(NC(=O)C(F)(F)C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C8H8F5N3O/c1-4(5-2-14-15-3-5)16-6(17)7(9,10)8(11,12)13/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyRKXGPRKMUGWVLM-UHFFFAOYSA-N
XLogP1.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-[2-(1H-pyrazol-4-yl)ethyl]-N-(2,2,2-trifluoroethyl)urea
CID 119073298
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 121535442
N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
CID 126776789
(2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 164642527
N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide
CID 127006745
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 54896806
3,3,3-trifluoro-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60967568
2,2,2-trifluoro-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 61004307
2,2,2-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 61021666
3,3,3-trifluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 64053125
2,2,2-trifluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 64054581
4,4,4-trifluoro-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 65711585

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (CID 106216846) is 2,2,3,3,3-pentafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is CC(NC(=O)C(F)(F)C(F)(F)F)c1cn[nH]c1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The InChIKey is RKXGPRKMUGWVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F5N3O/c1-4(5-2-14-15-3-5)16-6(17)7(9,10)8(11,12)13/h2-4H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2,2,3,3,3-pentafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
2,2,3,3,3-pentafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide has a molecular weight of 257.16 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 106216846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).