[6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-fluoro-3-bicyclo[3.1.0]hexanyl]methanol

C15H23FN2O — CID 123815409

IUPAC[6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-fluoro-3-bicyclo[3.1.0]hexanyl]methanol
SMILESCCc1cc(C2C3CC(F)(CO)CC32)n(C(C)C)n1
InChIInChI=1S/C15H23FN2O/c1-4-10-5-13(18(17-10)9(2)3)14-11-6-15(16,8-19)7-12(11)14/h5,9,11-12,14,19H,4,6-8H2,1-3H3
InChIKeyBEYCGOUGYXKTDC-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.85
Rot. Bonds4

About [6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-fluoro-3-bicyclo[3.1.0]hexanyl]methanol

[6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-fluoro-3-bicyclo[3.1.0]hexanyl]methanol (PubChem CID 123815409) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is [6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-fluoro-3-bicyclo[3.1.0]hexanyl]methanol.

Molecular Properties

Compound Name[6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-fluoro-3-bicyclo[3.1.0]hexanyl]methanol
PubChem CID123815409
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name[6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-fluoro-3-bicyclo[3.1.0]hexanyl]methanol
SMILESCCc1cc(C2C3CC(F)(CO)CC32)n(C(C)C)n1
InChIInChI=1S/C15H23FN2O/c1-4-10-5-13(18(17-10)9(2)3)14-11-6-15(16,8-19)7-12(11)14/h5,9,11-12,14,19H,4,6-8H2,1-3H3
InChIKeyBEYCGOUGYXKTDC-UHFFFAOYSA-N
XLogP2.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-fluoro-3-bicyclo[3.1.0]hexanyl]methanol with MolForge

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Related Compounds

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
3-Ethyl-5-[3-fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazole
CID 123703137
1-Butan-2-yl-3-ethyl-5-(3-fluoro-6-bicyclo[3.1.0]hexanyl)pyrazole
CID 123839644
4-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 134331554
[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
[4-[5-(1,1-Difluoroethyl)-1-methylpyrazol-3-yl]-1-bicyclo[2.2.2]octanyl]methanol
CID 154683121

Frequently Asked Questions

What is the IUPAC name of [6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-fluoro-3-bicyclo[3.1.0]hexanyl]methanol?
The IUPAC name of [6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-fluoro-3-bicyclo[3.1.0]hexanyl]methanol (CID 123815409) is [6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-fluoro-3-bicyclo[3.1.0]hexanyl]methanol.
What is the SMILES notation for [6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-fluoro-3-bicyclo[3.1.0]hexanyl]methanol?
The canonical SMILES for [6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-fluoro-3-bicyclo[3.1.0]hexanyl]methanol is CCc1cc(C2C3CC(F)(CO)CC32)n(C(C)C)n1.
What is the InChIKey of [6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-fluoro-3-bicyclo[3.1.0]hexanyl]methanol?
The InChIKey is BEYCGOUGYXKTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-4-10-5-13(18(17-10)9(2)3)14-11-6-15(16,8-19)7-12(11)14/h5,9,11-12,14,19H,4,6-8H2,1-3H3.
What are the key properties of [6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-fluoro-3-bicyclo[3.1.0]hexanyl]methanol?
[6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-fluoro-3-bicyclo[3.1.0]hexanyl]methanol has a molecular weight of 266.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)-3-fluoro-3-bicyclo[3.1.0]hexanyl]methanol is sourced from PubChem (CID 123815409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).