2-phenyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide

C18H14F3N3O — CID 135315738

IUPAC2-phenyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccn(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)14-6-8-15(9-7-14)24-11-10-16(23-24)22-17(25)12-13-4-2-1-3-5-13/h1-11H,12H2,(H,22,23,25)
InChIKeyOVFQOWYAFVROEY-UHFFFAOYSA-N
MW345.32 g/mol
LogP4.07
Rot. Bonds4

About 2-phenyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide

2-phenyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide (PubChem CID 135315738) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is 2-phenyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
PubChem CID135315738
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name2-phenyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccn(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)14-6-8-15(9-7-14)24-11-10-16(23-24)22-17(25)12-13-4-2-1-3-5-13/h1-11H,12H2,(H,22,23,25)
InChIKeyOVFQOWYAFVROEY-UHFFFAOYSA-N
XLogP4.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-phenyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide (CID 135315738) is 2-phenyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide is O=C(Cc1ccccc1)Nc1ccn(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-phenyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
The InChIKey is OVFQOWYAFVROEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-8-15(9-7-14)24-11-10-16(23-24)22-17(25)12-13-4-2-1-3-5-13/h1-11H,12H2,(H,22,23,25).
What are the key properties of 2-phenyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
2-phenyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide has a molecular weight of 345.32 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 135315738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).