2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide

C12H11F2N3O — CID 71683363

IUPAC2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESO=C(Cc1c(F)cccc1F)NCc1ccn[nH]1
InChIInChI=1S/C12H11F2N3O/c13-10-2-1-3-11(14)9(10)6-12(18)15-7-8-4-5-16-17-8/h1-5H,6-7H2,(H,15,18)(H,16,17)
InChIKeyADGLGBIZSWZQIA-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.55
Rot. Bonds4

About 2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide

2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide (PubChem CID 71683363) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
PubChem CID71683363
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
SMILESO=C(Cc1c(F)cccc1F)NCc1ccn[nH]1
InChIInChI=1S/C12H11F2N3O/c13-10-2-1-3-11(14)9(10)6-12(18)15-7-8-4-5-16-17-8/h1-5H,6-7H2,(H,15,18)(H,16,17)
InChIKeyADGLGBIZSWZQIA-UHFFFAOYSA-N
XLogP1.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285808
2,6-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 113346790
2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 62500320
2,3-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 114344962
3-oxo-3-(1H-pyrazol-5-ylmethylamino)propanoic acid
CID 62232296
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47205239
4-amino-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61285698
2-(1H-pyrazol-5-yl)-N-[(2,4,6-trimethylpyrimidin-5-yl)methyl]acetamide
CID 112528731
2-(2,6-difluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 107231725
2-(2-methoxyethoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 61284127
N-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide
CID 107233811
6-oxo-6-(1H-pyrazol-5-ylmethylamino)hexanoic acid
CID 61286078

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide (CID 71683363) is 2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide is O=C(Cc1c(F)cccc1F)NCc1ccn[nH]1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
The InChIKey is ADGLGBIZSWZQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c13-10-2-1-3-11(14)9(10)6-12(18)15-7-8-4-5-16-17-8/h1-5H,6-7H2,(H,15,18)(H,16,17).
What are the key properties of 2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide?
2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide has a molecular weight of 251.24 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide is sourced from PubChem (CID 71683363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).