5-[3-(2,2-difluoroethoxy)pyrazol-1-yl]-2-methoxypyridine

C11H11F2N3O2 — CID 141089722

IUPAC5-[3-(2,2-difluoroethoxy)pyrazol-1-yl]-2-methoxypyridine
SMILESCOc1ccc(-n2ccc(OCC(F)F)n2)cn1
InChIInChI=1S/C11H11F2N3O2/c1-17-10-3-2-8(6-14-10)16-5-4-11(15-16)18-7-9(12)13/h2-6,9H,7H2,1H3
InChIKeyIFSQEZZPTSTLJT-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.92
Rot. Bonds5

About 5-[3-(2,2-difluoroethoxy)pyrazol-1-yl]-2-methoxypyridine

5-[3-(2,2-difluoroethoxy)pyrazol-1-yl]-2-methoxypyridine (PubChem CID 141089722) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is 5-[3-(2,2-difluoroethoxy)pyrazol-1-yl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[3-(2,2-difluoroethoxy)pyrazol-1-yl]-2-methoxypyridine
PubChem CID141089722
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Name5-[3-(2,2-difluoroethoxy)pyrazol-1-yl]-2-methoxypyridine
SMILESCOc1ccc(-n2ccc(OCC(F)F)n2)cn1
InChIInChI=1S/C11H11F2N3O2/c1-17-10-3-2-8(6-14-10)16-5-4-11(15-16)18-7-9(12)13/h2-6,9H,7H2,1H3
InChIKeyIFSQEZZPTSTLJT-UHFFFAOYSA-N
XLogP1.92
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[3-(2,2-difluoroethoxy)pyrazol-1-yl]-2-methoxypyridine 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

US10071988, Example 4
CID 130309370
5-[4-(2,6-Difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]-2-methoxypyridine
CID 118430568
6-(2,2,3,3-Tetrafluoropropoxy)pyridin-3-amine
CID 29004293
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine
CID 56817424
2-Ethoxy-3-(2-propan-2-ylpyrazol-3-yl)pyridine
CID 121510304
1,3-dimethyl-5-(pyridin-3-yloxy)-1H-pyrazol-4-amine dihydrochloride
CID 47003325
2,6-Dimethoxy-3-pyrazol-1-ylpyridine
CID 122203712
1-(1-Pyrazol-1-ylpropan-2-yl)-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]urea
CID 45827290
N-(6-methoxy-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 51076826
N-(1H-pyrazol-5-ylmethyl)-1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine
CID 72147416
N-[(6-ethoxy-2-pyridinyl)methyl]-N,1-dimethylpyrazol-4-amine
CID 75503263
4-[(3,5-Dimethylpyrazol-1-yl)methyl]-2-(2-methoxyethoxy)pyridine
CID 75519944

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2-difluoroethoxy)pyrazol-1-yl]-2-methoxypyridine?
The IUPAC name of 5-[3-(2,2-difluoroethoxy)pyrazol-1-yl]-2-methoxypyridine (CID 141089722) is 5-[3-(2,2-difluoroethoxy)pyrazol-1-yl]-2-methoxypyridine.
What is the SMILES notation for 5-[3-(2,2-difluoroethoxy)pyrazol-1-yl]-2-methoxypyridine?
The canonical SMILES for 5-[3-(2,2-difluoroethoxy)pyrazol-1-yl]-2-methoxypyridine is COc1ccc(-n2ccc(OCC(F)F)n2)cn1.
What is the InChIKey of 5-[3-(2,2-difluoroethoxy)pyrazol-1-yl]-2-methoxypyridine?
The InChIKey is IFSQEZZPTSTLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c1-17-10-3-2-8(6-14-10)16-5-4-11(15-16)18-7-9(12)13/h2-6,9H,7H2,1H3.
What are the key properties of 5-[3-(2,2-difluoroethoxy)pyrazol-1-yl]-2-methoxypyridine?
5-[3-(2,2-difluoroethoxy)pyrazol-1-yl]-2-methoxypyridine has a molecular weight of 255.22 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2-difluoroethoxy)pyrazol-1-yl]-2-methoxypyridine is sourced from PubChem (CID 141089722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).