8-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol

C19H24FN3O — CID 16673441

IUPAC8-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCn1cc(CN2C3CCC2CC(O)(c2ccccc2F)C3)cn1
InChIInChI=1S/C19H24FN3O/c1-2-22-12-14(11-21-22)13-23-15-7-8-16(23)10-19(24,9-15)17-5-3-4-6-18(17)20/h3-6,11-12,15-16,24H,2,7-10,13H2,1H3
InChIKeyAFSRUKWJCXZHSF-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.06
Rot. Bonds4

About 8-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol

8-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 16673441) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 8-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID16673441
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name8-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCn1cc(CN2C3CCC2CC(O)(c2ccccc2F)C3)cn1
InChIInChI=1S/C19H24FN3O/c1-2-22-12-14(11-21-22)13-23-15-7-8-16(23)10-19(24,9-15)17-5-3-4-6-18(17)20/h3-6,11-12,15-16,24H,2,7-10,13H2,1H3
InChIKeyAFSRUKWJCXZHSF-UHFFFAOYSA-N
XLogP3.06
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 16673441) is 8-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol is CCn1cc(CN2C3CCC2CC(O)(c2ccccc2F)C3)cn1.
What is the InChIKey of 8-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is AFSRUKWJCXZHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-2-22-12-14(11-21-22)13-23-15-7-8-16(23)10-19(24,9-15)17-5-3-4-6-18(17)20/h3-6,11-12,15-16,24H,2,7-10,13H2,1H3.
What are the key properties of 8-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 329.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 16673441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).