3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole

C10H16F2N2O — CID 58044379

IUPAC3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole
SMILESCn1ccc(COC(F)(F)C(C)(C)C)n1
InChIInChI=1S/C10H16F2N2O/c1-9(2,3)10(11,12)15-7-8-5-6-14(4)13-8/h5-6H,7H2,1-4H3
InChIKeyOSGGAEYSLOTJEF-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.58
Rot. Bonds3

About 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole

3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole (PubChem CID 58044379) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole.

Molecular Properties

Compound Name3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole
PubChem CID58044379
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole
SMILESCn1ccc(COC(F)(F)C(C)(C)C)n1
InChIInChI=1S/C10H16F2N2O/c1-9(2,3)10(11,12)15-7-8-5-6-14(4)13-8/h5-6H,7H2,1-4H3
InChIKeyOSGGAEYSLOTJEF-UHFFFAOYSA-N
XLogP2.58
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole?
The IUPAC name of 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole (CID 58044379) is 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole.
What is the SMILES notation for 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole?
The canonical SMILES for 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole is Cn1ccc(COC(F)(F)C(C)(C)C)n1.
What is the InChIKey of 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole?
The InChIKey is OSGGAEYSLOTJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-9(2,3)10(11,12)15-7-8-5-6-14(4)13-8/h5-6H,7H2,1-4H3.
What are the key properties of 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole?
3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole has a molecular weight of 218.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole is sourced from PubChem (CID 58044379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).