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

C20H19F2N3O — CID 25106482

IUPACN-[(2,3-difluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1cccc(F)c1F
InChIInChI=1S/C20H19F2N3O/c1-13-17(14(2)25(24-13)16-8-4-3-5-9-16)11-19(26)23-12-15-7-6-10-18(21)20(15)22/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyVLKGDYKHZIDLBZ-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.63
Rot. Bonds5

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

N-[(2,3-difluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 25106482) has the molecular formula C20H19F2N3O and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
PubChem CID25106482
Molecular FormulaC20H19F2N3O
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[(2,3-difluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1cccc(F)c1F
InChIInChI=1S/C20H19F2N3O/c1-13-17(14(2)25(24-13)16-8-4-3-5-9-16)11-19(26)23-12-15-7-6-10-18(21)20(15)22/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyVLKGDYKHZIDLBZ-UHFFFAOYSA-N
XLogP3.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 25106482) is N-[(2,3-difluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The InChIKey is VLKGDYKHZIDLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O/c1-13-17(14(2)25(24-13)16-8-4-3-5-9-16)11-19(26)23-12-15-7-6-10-18(21)20(15)22/h3-10H,11-12H2,1-2H3,(H,23,26).
What are the key properties of N-[(2,3-difluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
N-[(2,3-difluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide has a molecular weight of 355.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 25106482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).