3-[[(2R)-4,4-difluoro-2-methyloxolan-2-yl]methyl]-4-ethyl-1-methylpyrazole

C12H18F2N2O — CID 156573484

IUPAC3-[[(2R)-4,4-difluoro-2-methyloxolan-2-yl]methyl]-4-ethyl-1-methylpyrazole
SMILESCCc1cn(C)nc1C[C@]1(C)CC(F)(F)CO1
InChIInChI=1S/C12H18F2N2O/c1-4-9-6-16(3)15-10(9)5-11(2)7-12(13,14)8-17-11/h6H,4-5,7-8H2,1-3H3/t11-/m1/s1
InChIKeyYQNSAZVKIQXVJM-LLVKDONJSA-N
MW244.28 g/mol
LogP2.34
Rot. Bonds3

About 3-[[(2R)-4,4-difluoro-2-methyloxolan-2-yl]methyl]-4-ethyl-1-methylpyrazole

3-[[(2R)-4,4-difluoro-2-methyloxolan-2-yl]methyl]-4-ethyl-1-methylpyrazole (PubChem CID 156573484) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 3-[[(2R)-4,4-difluoro-2-methyloxolan-2-yl]methyl]-4-ethyl-1-methylpyrazole.

Molecular Properties

Compound Name3-[[(2R)-4,4-difluoro-2-methyloxolan-2-yl]methyl]-4-ethyl-1-methylpyrazole
PubChem CID156573484
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name3-[[(2R)-4,4-difluoro-2-methyloxolan-2-yl]methyl]-4-ethyl-1-methylpyrazole
SMILESCCc1cn(C)nc1C[C@]1(C)CC(F)(F)CO1
InChIInChI=1S/C12H18F2N2O/c1-4-9-6-16(3)15-10(9)5-11(2)7-12(13,14)8-17-11/h6H,4-5,7-8H2,1-3H3/t11-/m1/s1
InChIKeyYQNSAZVKIQXVJM-LLVKDONJSA-N
XLogP2.34
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[[(2R)-4,4-difluoro-2-methyloxolan-2-yl]methyl]-4-ethyl-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

Related Compounds

2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]heptane-1,3-diol
CID 141407053
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]hexane-1,3-diol
CID 141407057
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]-2-methylheptane-1,3-diol
CID 141407059
[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanone
CID 146444844
(4,4-Difluoro-2-methyloxolan-2-yl)-(1,4-dimethylpyrazol-3-yl)methanone
CID 146444847
[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine
CID 146444856
(R)-[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine
CID 146444857
(R)-(4,4-difluoro-2-methyloxolan-2-yl)-(1,4-dimethylpyrazol-3-yl)methanamine
CID 146444859
1-(Oxan-2-yl)-4-propyl-3-(trifluoromethyl)pyrazole
CID 154933257
1-Methyl-4-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)pyrazole
CID 170107541
4-(7-Oxabicyclo[2.2.1]heptan-2-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 170107910
3-Cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-4-(trifluoromethyl)pyrazole
CID 175828675

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-4,4-difluoro-2-methyloxolan-2-yl]methyl]-4-ethyl-1-methylpyrazole?
The IUPAC name of 3-[[(2R)-4,4-difluoro-2-methyloxolan-2-yl]methyl]-4-ethyl-1-methylpyrazole (CID 156573484) is 3-[[(2R)-4,4-difluoro-2-methyloxolan-2-yl]methyl]-4-ethyl-1-methylpyrazole.
What is the SMILES notation for 3-[[(2R)-4,4-difluoro-2-methyloxolan-2-yl]methyl]-4-ethyl-1-methylpyrazole?
The canonical SMILES for 3-[[(2R)-4,4-difluoro-2-methyloxolan-2-yl]methyl]-4-ethyl-1-methylpyrazole is CCc1cn(C)nc1C[C@]1(C)CC(F)(F)CO1.
What is the InChIKey of 3-[[(2R)-4,4-difluoro-2-methyloxolan-2-yl]methyl]-4-ethyl-1-methylpyrazole?
The InChIKey is YQNSAZVKIQXVJM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-4-9-6-16(3)15-10(9)5-11(2)7-12(13,14)8-17-11/h6H,4-5,7-8H2,1-3H3/t11-/m1/s1.
What are the key properties of 3-[[(2R)-4,4-difluoro-2-methyloxolan-2-yl]methyl]-4-ethyl-1-methylpyrazole?
3-[[(2R)-4,4-difluoro-2-methyloxolan-2-yl]methyl]-4-ethyl-1-methylpyrazole has a molecular weight of 244.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-4,4-difluoro-2-methyloxolan-2-yl]methyl]-4-ethyl-1-methylpyrazole is sourced from PubChem (CID 156573484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).