2-(5-amino-3-phenylpyrazol-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone

C18H14F3N3O — CID 102313327

IUPAC2-(5-amino-3-phenylpyrazol-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESNc1cc(-c2ccccc2)nn1CC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)14-8-6-13(7-9-14)16(25)11-24-17(22)10-15(23-24)12-4-2-1-3-5-12/h1-10H,11,22H2
InChIKeyLAKNFBDPMAYNTN-UHFFFAOYSA-N
MW345.32 g/mol
LogP4.03
Rot. Bonds4

About 2-(5-amino-3-phenylpyrazol-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone

2-(5-amino-3-phenylpyrazol-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 102313327) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is 2-(5-amino-3-phenylpyrazol-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(5-amino-3-phenylpyrazol-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID102313327
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name2-(5-amino-3-phenylpyrazol-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESNc1cc(-c2ccccc2)nn1CC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)14-8-6-13(7-9-14)16(25)11-24-17(22)10-15(23-24)12-4-2-1-3-5-12/h1-10H,11,22H2
InChIKeyLAKNFBDPMAYNTN-UHFFFAOYSA-N
XLogP4.03
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-phenylpyrazol-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(5-amino-3-phenylpyrazol-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone (CID 102313327) is 2-(5-amino-3-phenylpyrazol-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(5-amino-3-phenylpyrazol-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(5-amino-3-phenylpyrazol-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone is Nc1cc(-c2ccccc2)nn1CC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(5-amino-3-phenylpyrazol-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is LAKNFBDPMAYNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c19-18(20,21)14-8-6-13(7-9-14)16(25)11-24-17(22)10-15(23-24)12-4-2-1-3-5-12/h1-10H,11,22H2.
What are the key properties of 2-(5-amino-3-phenylpyrazol-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone?
2-(5-amino-3-phenylpyrazol-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 345.32 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-phenylpyrazol-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 102313327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).