1-(2,6-difluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one

C14H14F2N2O — CID 103024061

IUPAC1-(2,6-difluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCc1ccc(F)c(C(=O)CCc2cnn(C)c2)c1F
InChIInChI=1S/C14H14F2N2O/c1-9-3-5-11(15)13(14(9)16)12(19)6-4-10-7-17-18(2)8-10/h3,5,7-8H,4,6H2,1-2H3
InChIKeyDHMQKNQDHWCMDD-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.82
Rot. Bonds4

About 1-(2,6-difluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one

1-(2,6-difluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one (PubChem CID 103024061) has the molecular formula C14H14F2N2O and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
PubChem CID103024061
Molecular FormulaC14H14F2N2O
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCc1ccc(F)c(C(=O)CCc2cnn(C)c2)c1F
InChIInChI=1S/C14H14F2N2O/c1-9-3-5-11(15)13(14(9)16)12(19)6-4-10-7-17-18(2)8-10/h3,5,7-8H,4,6H2,1-2H3
InChIKeyDHMQKNQDHWCMDD-UHFFFAOYSA-N
XLogP2.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007457
1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007220
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103023677
1-(5-methylfuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024085
1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024078
3-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpropan-1-one
CID 103007248
1-(4-chlorophenyl)-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103007258
1-(3,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007783
1-(1H-imidazol-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007743
1-(5-chlorofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 106691371
3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 103024106
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one (CID 103024061) is 1-(2,6-difluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one is Cc1ccc(F)c(C(=O)CCc2cnn(C)c2)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The InChIKey is DHMQKNQDHWCMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-9-3-5-11(15)13(14(9)16)12(19)6-4-10-7-17-18(2)8-10/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one?
1-(2,6-difluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one has a molecular weight of 264.28 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 103024061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).