2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide

C13H11F4N3O2 — CID 19518273

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide
SMILESO=C(Cn1nc(C(F)F)cc1C(F)F)Nc1cccc(O)c1
InChIInChI=1S/C13H11F4N3O2/c14-12(15)9-5-10(13(16)17)20(19-9)6-11(22)18-7-2-1-3-8(21)4-7/h1-5,12-13,21H,6H2,(H,18,22)
InChIKeyURYYDLWMEYZRPL-UHFFFAOYSA-N
MW317.24 g/mol
LogP3.10
Rot. Bonds5

About 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide (PubChem CID 19518273) has the molecular formula C13H11F4N3O2 and a molecular weight of 317.24 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide
PubChem CID19518273
Molecular FormulaC13H11F4N3O2
Molecular Weight317.24 g/mol
Exact Mass317.08
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide
SMILESO=C(Cn1nc(C(F)F)cc1C(F)F)Nc1cccc(O)c1
InChIInChI=1S/C13H11F4N3O2/c14-12(15)9-5-10(13(16)17)20(19-9)6-11(22)18-7-2-1-3-8(21)4-7/h1-5,12-13,21H,6H2,(H,18,22)
InChIKeyURYYDLWMEYZRPL-UHFFFAOYSA-N
XLogP3.10
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide (CID 19518273) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide is O=C(Cn1nc(C(F)F)cc1C(F)F)Nc1cccc(O)c1.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
The InChIKey is URYYDLWMEYZRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3O2/c14-12(15)9-5-10(13(16)17)20(19-9)6-11(22)18-7-2-1-3-8(21)4-7/h1-5,12-13,21H,6H2,(H,18,22).
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide has a molecular weight of 317.24 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 19518273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).