5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine

C14H17F2N3O — CID 58044681

IUPAC5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine
SMILESCC(C)(C)C(F)(F)OCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C14H17F2N3O/c1-13(2,3)14(15,16)20-10-11-5-6-12(17-9-11)19-8-4-7-18-19/h4-9H,10H2,1-3H3
InChIKeyPYSJIVXAKOXCNF-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.42
Rot. Bonds4

About 5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine

5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine (PubChem CID 58044681) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine.

Molecular Properties

Compound Name5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine
PubChem CID58044681
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine
SMILESCC(C)(C)C(F)(F)OCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C14H17F2N3O/c1-13(2,3)14(15,16)20-10-11-5-6-12(17-9-11)19-8-4-7-18-19/h4-9H,10H2,1-3H3
InChIKeyPYSJIVXAKOXCNF-UHFFFAOYSA-N
XLogP3.42
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine?
The IUPAC name of 5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine (CID 58044681) is 5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine.
What is the SMILES notation for 5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine?
The canonical SMILES for 5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine is CC(C)(C)C(F)(F)OCc1ccc(-n2cccn2)nc1.
What is the InChIKey of 5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine?
The InChIKey is PYSJIVXAKOXCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-13(2,3)14(15,16)20-10-11-5-6-12(17-9-11)19-8-4-7-18-19/h4-9H,10H2,1-3H3.
What are the key properties of 5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine?
5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine has a molecular weight of 281.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-pyrazol-1-ylpyridine is sourced from PubChem (CID 58044681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).