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

C7H7F4N3O — CID 4765152

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1nc(C(F)F)cc1C(F)F
InChIInChI=1S/C7H7F4N3O/c8-6(9)3-1-4(7(10)11)14(13-3)2-5(12)15/h1,6-7H,2H2,(H2,12,15)
InChIKeyQSLPGSOTRGJUIQ-UHFFFAOYSA-N
MW225.14 g/mol
LogP1.24
Rot. Bonds4

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

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 4765152) has the molecular formula C7H7F4N3O and a molecular weight of 225.14 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetamide
PubChem CID4765152
Molecular FormulaC7H7F4N3O
Molecular Weight225.14 g/mol
Exact Mass225.05
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1nc(C(F)F)cc1C(F)F
InChIInChI=1S/C7H7F4N3O/c8-6(9)3-1-4(7(10)11)14(13-3)2-5(12)15/h1,6-7H,2H2,(H2,12,15)
InChIKeyQSLPGSOTRGJUIQ-UHFFFAOYSA-N
XLogP1.24
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetamide (CID 4765152) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetamide is NC(=O)Cn1nc(C(F)F)cc1C(F)F.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is QSLPGSOTRGJUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4N3O/c8-6(9)3-1-4(7(10)11)14(13-3)2-5(12)15/h1,6-7H,2H2,(H2,12,15).
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetamide?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 225.14 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 4765152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).