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

C20H26FN3O — CID 16673444

IUPAC3-(2-fluorophenyl)-8-[(1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCn1cc(CN2C3CCC2CC(O)(c2ccccc2F)C3)cn1
InChIInChI=1S/C20H26FN3O/c1-2-9-23-13-15(12-22-23)14-24-16-7-8-17(24)11-20(25,10-16)18-5-3-4-6-19(18)21/h3-6,12-13,16-17,25H,2,7-11,14H2,1H3
InChIKeyQRMQFMHKUCSROJ-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.45
Rot. Bonds5

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

3-(2-fluorophenyl)-8-[(1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 16673444) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-8-[(1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(2-fluorophenyl)-8-[(1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID16673444
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name3-(2-fluorophenyl)-8-[(1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCn1cc(CN2C3CCC2CC(O)(c2ccccc2F)C3)cn1
InChIInChI=1S/C20H26FN3O/c1-2-9-23-13-15(12-22-23)14-24-16-7-8-17(24)11-20(25,10-16)18-5-3-4-6-19(18)21/h3-6,12-13,16-17,25H,2,7-11,14H2,1H3
InChIKeyQRMQFMHKUCSROJ-UHFFFAOYSA-N
XLogP3.45
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-8-[(1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(2-fluorophenyl)-8-[(1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 16673444) is 3-(2-fluorophenyl)-8-[(1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(2-fluorophenyl)-8-[(1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(2-fluorophenyl)-8-[(1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is CCCn1cc(CN2C3CCC2CC(O)(c2ccccc2F)C3)cn1.
What is the InChIKey of 3-(2-fluorophenyl)-8-[(1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is QRMQFMHKUCSROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-2-9-23-13-15(12-22-23)14-24-16-7-8-17(24)11-20(25,10-16)18-5-3-4-6-19(18)21/h3-6,12-13,16-17,25H,2,7-11,14H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-8-[(1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
3-(2-fluorophenyl)-8-[(1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 343.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-8-[(1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 16673444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).