2,2-difluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]acetamide

C8H11F2N3O2 — CID 177168618

IUPAC2,2-difluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESCn1cc(C(O)CNC(=O)C(F)F)cn1
InChIInChI=1S/C8H11F2N3O2/c1-13-4-5(2-12-13)6(14)3-11-8(15)7(9)10/h2,4,6-7,14H,3H2,1H3,(H,11,15)
InChIKeyOITSKMYRHMQVDB-UHFFFAOYSA-N
MW219.19 g/mol
LogP-0.17
Rot. Bonds4

About 2,2-difluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]acetamide

2,2-difluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]acetamide (PubChem CID 177168618) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]acetamide
PubChem CID177168618
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC Name2,2-difluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESCn1cc(C(O)CNC(=O)C(F)F)cn1
InChIInChI=1S/C8H11F2N3O2/c1-13-4-5(2-12-13)6(14)3-11-8(15)7(9)10/h2,4,6-7,14H,3H2,1H3,(H,11,15)
InChIKeyOITSKMYRHMQVDB-UHFFFAOYSA-N
XLogP-0.17
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]acetamide (CID 177168618) is 2,2-difluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]acetamide is Cn1cc(C(O)CNC(=O)C(F)F)cn1.
What is the InChIKey of 2,2-difluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is OITSKMYRHMQVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c1-13-4-5(2-12-13)6(14)3-11-8(15)7(9)10/h2,4,6-7,14H,3H2,1H3,(H,11,15).
What are the key properties of 2,2-difluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]acetamide?
2,2-difluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 219.19 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 177168618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).