(2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone

C13H12F2N2O — CID 113222399

IUPAC(2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)c1c(F)cccc1F
InChIInChI=1S/C13H12F2N2O/c1-7-11(8(2)17(3)16-7)13(18)12-9(14)5-4-6-10(12)15/h4-6H,1-3H3
InChIKeyGVZVBYJKBJMBNR-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.55
Rot. Bonds2

About (2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone

(2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 113222399) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID113222399
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name(2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)c1c(F)cccc1F
InChIInChI=1S/C13H12F2N2O/c1-7-11(8(2)17(3)16-7)13(18)12-9(14)5-4-6-10(12)15/h4-6H,1-3H3
InChIKeyGVZVBYJKBJMBNR-UHFFFAOYSA-N
XLogP2.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 113222403
(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 113222398
(2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105100921
2-fluoro-6-hydroxy-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
CID 99630725
isoquinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 103133944
1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide
CID 19281483
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
2-fluoro-N-[4-(2-fluorobenzoyl)-1,3-dimethylpyrazol-5-yl]benzamide
CID 154196668
(2,6-difluorophenyl)-(4-hydroxy-3-methyl-1-phenylpyrazol-5-yl)methanone
CID 136722892
N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 17423389
N'-benzoyl-1,3,5-trimethylpyrazole-4-carbohydrazide
CID 24672088
2-(3-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 103042869

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of (2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 113222399) is (2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for (2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is GVZVBYJKBJMBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-7-11(8(2)17(3)16-7)13(18)12-9(14)5-4-6-10(12)15/h4-6H,1-3H3.
What are the key properties of (2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
(2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 250.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 113222399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).