N-[2-(4-acetylphenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C20H15F4N3O2 — CID 21084524

IUPACN-[2-(4-acetylphenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(=O)c1ccc(-c2cc(F)ccc2NC(=O)c2cn(C)nc2C(F)(F)F)cc1
InChIInChI=1S/C20H15F4N3O2/c1-11(28)12-3-5-13(6-4-12)15-9-14(21)7-8-17(15)25-19(29)16-10-27(2)26-18(16)20(22,23)24/h3-10H,1-2H3,(H,25,29)
InChIKeyUVFWVTQMELZLBF-UHFFFAOYSA-N
MW405.35 g/mol
LogP4.70
Rot. Bonds4

About N-[2-(4-acetylphenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-[2-(4-acetylphenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 21084524) has the molecular formula C20H15F4N3O2 and a molecular weight of 405.35 g/mol. Its IUPAC name is N-[2-(4-acetylphenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetylphenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID21084524
Molecular FormulaC20H15F4N3O2
Molecular Weight405.35 g/mol
Exact Mass405.11
IUPAC NameN-[2-(4-acetylphenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(=O)c1ccc(-c2cc(F)ccc2NC(=O)c2cn(C)nc2C(F)(F)F)cc1
InChIInChI=1S/C20H15F4N3O2/c1-11(28)12-3-5-13(6-4-12)15-9-14(21)7-8-17(15)25-19(29)16-10-27(2)26-18(16)20(22,23)24/h3-10H,1-2H3,(H,25,29)
InChIKeyUVFWVTQMELZLBF-UHFFFAOYSA-N
XLogP4.70
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylphenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-acetylphenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 21084524) is N-[2-(4-acetylphenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-acetylphenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-acetylphenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is CC(=O)c1ccc(-c2cc(F)ccc2NC(=O)c2cn(C)nc2C(F)(F)F)cc1.
What is the InChIKey of N-[2-(4-acetylphenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is UVFWVTQMELZLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O2/c1-11(28)12-3-5-13(6-4-12)15-9-14(21)7-8-17(15)25-19(29)16-10-27(2)26-18(16)20(22,23)24/h3-10H,1-2H3,(H,25,29).
What are the key properties of N-[2-(4-acetylphenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-[2-(4-acetylphenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 405.35 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylphenyl)-4-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 21084524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).