(2,6-difluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanone

C13H12F2N2O — CID 114197545

IUPAC(2,6-difluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)n1nccc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C13H12F2N2O/c1-8(2)17-11(6-7-16-17)13(18)12-9(14)4-3-5-10(12)15/h3-8H,1-2H3
InChIKeyOQWIYGHEJWBXAB-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.97
Rot. Bonds3

About (2,6-difluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanone

(2,6-difluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 114197545) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
PubChem CID114197545
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name(2,6-difluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
SMILESCC(C)n1nccc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C13H12F2N2O/c1-8(2)17-11(6-7-16-17)13(18)12-9(14)4-3-5-10(12)15/h3-8H,1-2H3
InChIKeyOQWIYGHEJWBXAB-UHFFFAOYSA-N
XLogP2.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of (2,6-difluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanone (CID 114197545) is (2,6-difluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for (2,6-difluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for (2,6-difluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanone is CC(C)n1nccc1C(=O)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is OQWIYGHEJWBXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-8(2)17-11(6-7-16-17)13(18)12-9(14)4-3-5-10(12)15/h3-8H,1-2H3.
What are the key properties of (2,6-difluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanone?
(2,6-difluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 250.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 114197545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).