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

C20H20FN3O2 — CID 9194398

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(3-fluorophenoxy)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)COc1cccc(F)c1
InChIInChI=1S/C20H20FN3O2/c1-14-19(15(2)24(23-14)17-8-4-3-5-9-17)12-22-20(25)13-26-18-10-6-7-16(21)11-18/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyPXJHWUYRHAHKJM-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.32
Rot. Bonds6

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

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(3-fluorophenoxy)acetamide (PubChem CID 9194398) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(3-fluorophenoxy)acetamide
PubChem CID9194398
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(3-fluorophenoxy)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)COc1cccc(F)c1
InChIInChI=1S/C20H20FN3O2/c1-14-19(15(2)24(23-14)17-8-4-3-5-9-17)12-22-20(25)13-26-18-10-6-7-16(21)11-18/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyPXJHWUYRHAHKJM-UHFFFAOYSA-N
XLogP3.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(3-fluorophenoxy)acetamide (CID 9194398) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(3-fluorophenoxy)acetamide is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)COc1cccc(F)c1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(3-fluorophenoxy)acetamide?
The InChIKey is PXJHWUYRHAHKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-14-19(15(2)24(23-14)17-8-4-3-5-9-17)12-22-20(25)13-26-18-10-6-7-16(21)11-18/h3-11H,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(3-fluorophenoxy)acetamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(3-fluorophenoxy)acetamide has a molecular weight of 353.40 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 9194398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).