2-[3-(difluoromethoxy)-2-methylanilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide

C15H18F2N4O2 — CID 71973361

IUPAC2-[3-(difluoromethoxy)-2-methylanilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CNc2cccc(OC(F)F)c2C)n(C)n1
InChIInChI=1S/C15H18F2N4O2/c1-9-7-13(21(3)20-9)19-14(22)8-18-11-5-4-6-12(10(11)2)23-15(16)17/h4-7,15,18H,8H2,1-3H3,(H,19,22)
InChIKeyUCQFGPPLNQNGFK-UHFFFAOYSA-N
MW324.33 g/mol
LogP2.69
Rot. Bonds6

About 2-[3-(difluoromethoxy)-2-methylanilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-[3-(difluoromethoxy)-2-methylanilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 71973361) has the molecular formula C15H18F2N4O2 and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)-2-methylanilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)-2-methylanilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID71973361
Molecular FormulaC15H18F2N4O2
Molecular Weight324.33 g/mol
Exact Mass324.14
IUPAC Name2-[3-(difluoromethoxy)-2-methylanilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CNc2cccc(OC(F)F)c2C)n(C)n1
InChIInChI=1S/C15H18F2N4O2/c1-9-7-13(21(3)20-9)19-14(22)8-18-11-5-4-6-12(10(11)2)23-15(16)17/h4-7,15,18H,8H2,1-3H3,(H,19,22)
InChIKeyUCQFGPPLNQNGFK-UHFFFAOYSA-N
XLogP2.69
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)-2-methylanilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[3-(difluoromethoxy)-2-methylanilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 71973361) is 2-[3-(difluoromethoxy)-2-methylanilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-(difluoromethoxy)-2-methylanilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[3-(difluoromethoxy)-2-methylanilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)CNc2cccc(OC(F)F)c2C)n(C)n1.
What is the InChIKey of 2-[3-(difluoromethoxy)-2-methylanilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is UCQFGPPLNQNGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O2/c1-9-7-13(21(3)20-9)19-14(22)8-18-11-5-4-6-12(10(11)2)23-15(16)17/h4-7,15,18H,8H2,1-3H3,(H,19,22).
What are the key properties of 2-[3-(difluoromethoxy)-2-methylanilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-[3-(difluoromethoxy)-2-methylanilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 324.33 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)-2-methylanilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 71973361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).