2-(2,4-difluorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide

C20H19F2N3O2 — CID 1223628

IUPAC2-(2,4-difluorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)COc1ccc(F)cc1F
InChIInChI=1S/C20H19F2N3O2/c1-13-17(14(2)25(24-13)16-6-4-3-5-7-16)11-23-20(26)12-27-19-9-8-15(21)10-18(19)22/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyQMBAUMJEVMUVPZ-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.46
Rot. Bonds6

About 2-(2,4-difluorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide

2-(2,4-difluorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 1223628) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID1223628
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name2-(2,4-difluorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)COc1ccc(F)cc1F
InChIInChI=1S/C20H19F2N3O2/c1-13-17(14(2)25(24-13)16-6-4-3-5-7-16)11-23-20(26)12-27-19-9-8-15(21)10-18(19)22/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyQMBAUMJEVMUVPZ-UHFFFAOYSA-N
XLogP3.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide (CID 1223628) is 2-(2,4-difluorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)COc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is QMBAUMJEVMUVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-13-17(14(2)25(24-13)16-6-4-3-5-7-16)11-23-20(26)12-27-19-9-8-15(21)10-18(19)22/h3-10H,11-12H2,1-2H3,(H,23,26).
What are the key properties of 2-(2,4-difluorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide?
2-(2,4-difluorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 371.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 1223628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).