N-[2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)acetamide

C20H17F4N3O — CID 55776317

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)acetamide
SMILESCc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)Cc2ccc(F)cc2)n1
InChIInChI=1S/C20H17F4N3O/c1-12-9-13(2)27(26-12)18-8-5-15(20(22,23)24)11-17(18)25-19(28)10-14-3-6-16(21)7-4-14/h3-9,11H,10H2,1-2H3,(H,25,28)
InChIKeyGZYZMBMISOHXEL-UHFFFAOYSA-N
MW391.37 g/mol
LogP4.83
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 55776317) has the molecular formula C20H17F4N3O and a molecular weight of 391.37 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)acetamide
PubChem CID55776317
Molecular FormulaC20H17F4N3O
Molecular Weight391.37 g/mol
Exact Mass391.13
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)acetamide
SMILESCc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)Cc2ccc(F)cc2)n1
InChIInChI=1S/C20H17F4N3O/c1-12-9-13(2)27(26-12)18-8-5-15(20(22,23)24)11-17(18)25-19(28)10-14-3-6-16(21)7-4-14/h3-9,11H,10H2,1-2H3,(H,25,28)
InChIKeyGZYZMBMISOHXEL-UHFFFAOYSA-N
XLogP4.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)acetamide (CID 55776317) is N-[2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)acetamide is Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NC(=O)Cc2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is GZYZMBMISOHXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N3O/c1-12-9-13(2)27(26-12)18-8-5-15(20(22,23)24)11-17(18)25-19(28)10-14-3-6-16(21)7-4-14/h3-9,11H,10H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 391.37 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 55776317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).