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

C18H14F3N3O — CID 75402634

IUPACN-(1-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-5-13(11-14)12-17(25)22-16-9-10-24(23-16)15-7-2-1-3-8-15/h1-11H,12H2,(H,22,23,25)
InChIKeyXKPDUEFMRFKVHV-UHFFFAOYSA-N
MW345.32 g/mol
LogP4.07
Rot. Bonds4

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

N-(1-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 75402634) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is N-(1-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID75402634
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC NameN-(1-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-5-13(11-14)12-17(25)22-16-9-10-24(23-16)15-7-2-1-3-8-15/h1-11H,12H2,(H,22,23,25)
InChIKeyXKPDUEFMRFKVHV-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 N-(1-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(1-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (CID 75402634) is N-(1-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(1-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(1-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccn(-c2ccccc2)n1.
What is the InChIKey of N-(1-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XKPDUEFMRFKVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-5-13(11-14)12-17(25)22-16-9-10-24(23-16)15-7-2-1-3-8-15/h1-11H,12H2,(H,22,23,25).
What are the key properties of N-(1-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
N-(1-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]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 N-(1-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 75402634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).