2,2,2-trifluoro-N-[3-methyl-2-(4-phenylphenyl)-3,4-dihydropyrazol-5-yl]acetamide

C18H16F3N3O — CID 15587132

IUPAC2,2,2-trifluoro-N-[3-methyl-2-(4-phenylphenyl)-3,4-dihydropyrazol-5-yl]acetamide
SMILESCC1CC(NC(=O)C(F)(F)F)=NN1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16F3N3O/c1-12-11-16(22-17(25)18(19,20)21)23-24(12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,22,23,25)
InChIKeyNYIXMJGPJYNTJQ-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.94
Rot. Bonds2

About 2,2,2-trifluoro-N-[3-methyl-2-(4-phenylphenyl)-3,4-dihydropyrazol-5-yl]acetamide

2,2,2-trifluoro-N-[3-methyl-2-(4-phenylphenyl)-3,4-dihydropyrazol-5-yl]acetamide (PubChem CID 15587132) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-methyl-2-(4-phenylphenyl)-3,4-dihydropyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-methyl-2-(4-phenylphenyl)-3,4-dihydropyrazol-5-yl]acetamide
PubChem CID15587132
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name2,2,2-trifluoro-N-[3-methyl-2-(4-phenylphenyl)-3,4-dihydropyrazol-5-yl]acetamide
SMILESCC1CC(NC(=O)C(F)(F)F)=NN1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H16F3N3O/c1-12-11-16(22-17(25)18(19,20)21)23-24(12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,22,23,25)
InChIKeyNYIXMJGPJYNTJQ-UHFFFAOYSA-N
XLogP3.94
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-methyl-2-(4-phenylphenyl)-3,4-dihydropyrazol-5-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-methyl-2-(4-phenylphenyl)-3,4-dihydropyrazol-5-yl]acetamide (CID 15587132) is 2,2,2-trifluoro-N-[3-methyl-2-(4-phenylphenyl)-3,4-dihydropyrazol-5-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-methyl-2-(4-phenylphenyl)-3,4-dihydropyrazol-5-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-methyl-2-(4-phenylphenyl)-3,4-dihydropyrazol-5-yl]acetamide is CC1CC(NC(=O)C(F)(F)F)=NN1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[3-methyl-2-(4-phenylphenyl)-3,4-dihydropyrazol-5-yl]acetamide?
The InChIKey is NYIXMJGPJYNTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-12-11-16(22-17(25)18(19,20)21)23-24(12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,22,23,25).
What are the key properties of 2,2,2-trifluoro-N-[3-methyl-2-(4-phenylphenyl)-3,4-dihydropyrazol-5-yl]acetamide?
2,2,2-trifluoro-N-[3-methyl-2-(4-phenylphenyl)-3,4-dihydropyrazol-5-yl]acetamide has a molecular weight of 347.34 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-methyl-2-(4-phenylphenyl)-3,4-dihydropyrazol-5-yl]acetamide is sourced from PubChem (CID 15587132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).