1-(3,5-difluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone

C14H14F2N2O — CID 64771713

IUPAC1-(3,5-difluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC(C)n1ccc(CC(=O)c2cc(F)cc(F)c2)n1
InChIInChI=1S/C14H14F2N2O/c1-9(2)18-4-3-13(17-18)8-14(19)10-5-11(15)7-12(16)6-10/h3-7,9H,8H2,1-2H3
InChIKeyTZOJWLAPUALAJJ-UHFFFAOYSA-N
MW264.27 g/mol
LogP3.17
Rot. Bonds4

About 1-(3,5-difluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone

1-(3,5-difluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone (PubChem CID 64771713) has the molecular formula C14H14F2N2O and a molecular weight of 264.27 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
PubChem CID64771713
Molecular FormulaC14H14F2N2O
Molecular Weight264.27 g/mol
Exact Mass264.11
IUPAC Name1-(3,5-difluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC(C)n1ccc(CC(=O)c2cc(F)cc(F)c2)n1
InChIInChI=1S/C14H14F2N2O/c1-9(2)18-4-3-13(17-18)8-14(19)10-5-11(15)7-12(16)6-10/h3-7,9H,8H2,1-2H3
InChIKeyTZOJWLAPUALAJJ-UHFFFAOYSA-N
XLogP3.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(3,5-difluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone (CID 64771713) is 1-(3,5-difluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone is CC(C)n1ccc(CC(=O)c2cc(F)cc(F)c2)n1.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The InChIKey is TZOJWLAPUALAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-9(2)18-4-3-13(17-18)8-14(19)10-5-11(15)7-12(16)6-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
1-(3,5-difluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone has a molecular weight of 264.27 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 64771713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).