2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

C13H13F2N3O — CID 103856634

IUPAC2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(F)cc1F)c1cn[nH]c1
InChIInChI=1S/C13H13F2N3O/c1-8(10-6-16-17-7-10)18-13(19)4-9-2-3-11(14)5-12(9)15/h2-3,5-8H,4H2,1H3,(H,16,17)(H,18,19)
InChIKeyXLOFSOKXQROAAR-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.11
Rot. Bonds4

About 2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 103856634) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID103856634
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1ccc(F)cc1F)c1cn[nH]c1
InChIInChI=1S/C13H13F2N3O/c1-8(10-6-16-17-7-10)18-13(19)4-9-2-3-11(14)5-12(9)15/h2-3,5-8H,4H2,1H3,(H,16,17)(H,18,19)
InChIKeyXLOFSOKXQROAAR-UHFFFAOYSA-N
XLogP2.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856392
2-(2,4-difluorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856075
2-(3-fluoro-4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856029
3-(4-fluorophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855886
2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106212825
N-[(2,5-difluorophenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103854966
2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856094
2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103855757
2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856024
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
2-(4-butylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856173
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (CID 103856634) is 2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is CC(NC(=O)Cc1ccc(F)cc1F)c1cn[nH]c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is XLOFSOKXQROAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-8(10-6-16-17-7-10)18-13(19)4-9-2-3-11(14)5-12(9)15/h2-3,5-8H,4H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 265.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 103856634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).