3-ethyl-5-[3-fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazole

C16H25FN2O — CID 123703137

IUPAC3-ethyl-5-[3-fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazole
SMILESCCc1cc(C2C3CC(F)(COC)CC32)n(C(C)C)n1
InChIInChI=1S/C16H25FN2O/c1-5-11-6-14(19(18-11)10(2)3)15-12-7-16(17,9-20-4)8-13(12)15/h6,10,12-13,15H,5,7-9H2,1-4H3
InChIKeyQWGRVHYLHWVUOX-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.50
Rot. Bonds5

About 3-ethyl-5-[3-fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazole

3-ethyl-5-[3-fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazole (PubChem CID 123703137) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-ethyl-5-[3-fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-ethyl-5-[3-fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazole
PubChem CID123703137
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-ethyl-5-[3-fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazole
SMILESCCc1cc(C2C3CC(F)(COC)CC32)n(C(C)C)n1
InChIInChI=1S/C16H25FN2O/c1-5-11-6-14(19(18-11)10(2)3)15-12-7-16(17,9-20-4)8-13(12)15/h6,10,12-13,15H,5,7-9H2,1-4H3
InChIKeyQWGRVHYLHWVUOX-UHFFFAOYSA-N
XLogP3.50
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-5-[3-fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazole with MolForge

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Related Compounds

[(1R,5S)-6-(3-iodo-1-propan-2-ylpyrazol-5-yl)-3-(trifluoromethylsulfonyloxymethyl)-3-bicyclo[3.1.0]hexanyl]methyl trifluoromethanesulfonate
CID 118161602
1-[(1R,5S)-3-fluoro-6-(3-iodo-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]-N,N-dimethylmethanamine
CID 118161671
5-[(1R,5S)-3-fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-3-iodo-1-propan-2-ylpyrazole
CID 118161753
[(1R,5S)-3-fluoro-6-(3-iodo-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]methanol
CID 118161812
[(1R,5S)-3-ethyl-6-(3-iodo-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]methyl trifluoromethanesulfonate
CID 118185442
1-[3-fluoro-6-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-bicyclo[3.1.0]hexanyl]-N,N-dimethylmethanamine
CID 123312924
[6-(3-Ethyl-1-propan-2-ylpyrazol-5-yl)-3-fluoro-3-bicyclo[3.1.0]hexanyl]methanol
CID 123815409
1-Butan-2-yl-3-ethyl-5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)pyrazole
CID 123839644
1-(3,3-Difluorocyclopentyl)-3-ethyl-5-(oxolan-3-yl)pyrazole
CID 123910824
[3-Fluoro-6-(3-iodo-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]methanol
CID 140678130
5-[3-Fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-3-iodo-1-propan-2-ylpyrazole
CID 140678138
2-[5-[4-[(R)-dimethylamino(hydroxy)methyl]cyclohexyl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 143533731

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[3-fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazole?
The IUPAC name of 3-ethyl-5-[3-fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazole (CID 123703137) is 3-ethyl-5-[3-fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-ethyl-5-[3-fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazole?
The canonical SMILES for 3-ethyl-5-[3-fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazole is CCc1cc(C2C3CC(F)(COC)CC32)n(C(C)C)n1.
What is the InChIKey of 3-ethyl-5-[3-fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazole?
The InChIKey is QWGRVHYLHWVUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-5-11-6-14(19(18-11)10(2)3)15-12-7-16(17,9-20-4)8-13(12)15/h6,10,12-13,15H,5,7-9H2,1-4H3.
What are the key properties of 3-ethyl-5-[3-fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazole?
3-ethyl-5-[3-fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazole has a molecular weight of 280.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[3-fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazole is sourced from PubChem (CID 123703137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).