N-[1-(2,2-difluoroethyl)-3-methoxypyrazol-4-yl]acetamide

C8H11F2N3O2 — CID 146152849

IUPACN-[1-(2,2-difluoroethyl)-3-methoxypyrazol-4-yl]acetamide
SMILESCOc1nn(CC(F)F)cc1NC(C)=O
InChIInChI=1S/C8H11F2N3O2/c1-5(14)11-6-3-13(4-7(9)10)12-8(6)15-2/h3,7H,4H2,1-2H3,(H,11,14)
InChIKeyIEOPUFZOOSXGDM-UHFFFAOYSA-N
MW219.19 g/mol
LogP1.12
Rot. Bonds4

About N-[1-(2,2-difluoroethyl)-3-methoxypyrazol-4-yl]acetamide

N-[1-(2,2-difluoroethyl)-3-methoxypyrazol-4-yl]acetamide (PubChem CID 146152849) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)-3-methoxypyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)-3-methoxypyrazol-4-yl]acetamide
PubChem CID146152849
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC NameN-[1-(2,2-difluoroethyl)-3-methoxypyrazol-4-yl]acetamide
SMILESCOc1nn(CC(F)F)cc1NC(C)=O
InChIInChI=1S/C8H11F2N3O2/c1-5(14)11-6-3-13(4-7(9)10)12-8(6)15-2/h3,7H,4H2,1-2H3,(H,11,14)
InChIKeyIEOPUFZOOSXGDM-UHFFFAOYSA-N
XLogP1.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)-3-methoxypyrazol-4-yl]acetamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)-3-methoxypyrazol-4-yl]acetamide (CID 146152849) is N-[1-(2,2-difluoroethyl)-3-methoxypyrazol-4-yl]acetamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)-3-methoxypyrazol-4-yl]acetamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)-3-methoxypyrazol-4-yl]acetamide is COc1nn(CC(F)F)cc1NC(C)=O.
What is the InChIKey of N-[1-(2,2-difluoroethyl)-3-methoxypyrazol-4-yl]acetamide?
The InChIKey is IEOPUFZOOSXGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c1-5(14)11-6-3-13(4-7(9)10)12-8(6)15-2/h3,7H,4H2,1-2H3,(H,11,14).
What are the key properties of N-[1-(2,2-difluoroethyl)-3-methoxypyrazol-4-yl]acetamide?
N-[1-(2,2-difluoroethyl)-3-methoxypyrazol-4-yl]acetamide has a molecular weight of 219.19 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)-3-methoxypyrazol-4-yl]acetamide is sourced from PubChem (CID 146152849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).