1-(1,5-dimethylpyrazol-3-yl)-1,1-difluoropropan-2-one

C8H10F2N2O — CID 123820843

IUPAC1-(1,5-dimethylpyrazol-3-yl)-1,1-difluoropropan-2-one
SMILESCC(=O)C(F)(F)c1cc(C)n(C)n1
InChIInChI=1S/C8H10F2N2O/c1-5-4-7(11-12(5)3)8(9,10)6(2)13/h4H,1-3H3
InChIKeyQKTZCQBDKJVDEK-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.41
Rot. Bonds2

About 1-(1,5-dimethylpyrazol-3-yl)-1,1-difluoropropan-2-one

1-(1,5-dimethylpyrazol-3-yl)-1,1-difluoropropan-2-one (PubChem CID 123820843) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)-1,1-difluoropropan-2-one.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)-1,1-difluoropropan-2-one
PubChem CID123820843
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)-1,1-difluoropropan-2-one
SMILESCC(=O)C(F)(F)c1cc(C)n(C)n1
InChIInChI=1S/C8H10F2N2O/c1-5-4-7(11-12(5)3)8(9,10)6(2)13/h4H,1-3H3
InChIKeyQKTZCQBDKJVDEK-UHFFFAOYSA-N
XLogP1.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-1,1-difluoropropan-2-one?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-1,1-difluoropropan-2-one (CID 123820843) is 1-(1,5-dimethylpyrazol-3-yl)-1,1-difluoropropan-2-one.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)-1,1-difluoropropan-2-one?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)-1,1-difluoropropan-2-one is CC(=O)C(F)(F)c1cc(C)n(C)n1.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)-1,1-difluoropropan-2-one?
The InChIKey is QKTZCQBDKJVDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-5-4-7(11-12(5)3)8(9,10)6(2)13/h4H,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)-1,1-difluoropropan-2-one?
1-(1,5-dimethylpyrazol-3-yl)-1,1-difluoropropan-2-one has a molecular weight of 188.18 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)-1,1-difluoropropan-2-one is sourced from PubChem (CID 123820843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).