8-[bis(2-chlorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-1-ol

C24H25Cl2N3O — CID 91539220

IUPAC8-[bis(2-chlorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-1-ol
SMILESCn1nccc1C1CC2CCC(O)(C1)N2C(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C24H25Cl2N3O/c1-28-22(11-13-27-28)16-14-17-10-12-24(30,15-16)29(17)23(18-6-2-4-8-20(18)25)19-7-3-5-9-21(19)26/h2-9,11,13,16-17,23,30H,10,12,14-15H2,1H3
InChIKeyBHUYGYPDFVLOTL-UHFFFAOYSA-N
MW442.39 g/mol
LogP5.55
Rot. Bonds4

About 8-[bis(2-chlorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-1-ol

8-[bis(2-chlorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-1-ol (PubChem CID 91539220) has the molecular formula C24H25Cl2N3O and a molecular weight of 442.39 g/mol. Its IUPAC name is 8-[bis(2-chlorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-1-ol.

Molecular Properties

Compound Name8-[bis(2-chlorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-1-ol
PubChem CID91539220
Molecular FormulaC24H25Cl2N3O
Molecular Weight442.39 g/mol
Exact Mass441.14
IUPAC Name8-[bis(2-chlorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-1-ol
SMILESCn1nccc1C1CC2CCC(O)(C1)N2C(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C24H25Cl2N3O/c1-28-22(11-13-27-28)16-14-17-10-12-24(30,15-16)29(17)23(18-6-2-4-8-20(18)25)19-7-3-5-9-21(19)26/h2-9,11,13,16-17,23,30H,10,12,14-15H2,1H3
InChIKeyBHUYGYPDFVLOTL-UHFFFAOYSA-N
XLogP5.55
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.39
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[bis(2-chlorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-1-ol with MolForge

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Related Compounds

8-[bis(2-chlorophenyl)methyl]-3-(5-ethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-1-ol
CID 91393091
8-[bis(2-chlorophenyl)methyl]-3-pyrimidin-4-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 22725100
8-[bis(2-chlorophenyl)methyl]-3-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane
CID 56660325
[(1R,5S)-8-[bis(2-chlorophenyl)methyl]-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 118718267
(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 112680913
3-(2-methylpyrazol-3-yl)cyclopentan-1-amine
CID 64504110
5-(3,3-difluorocyclohexyl)-1-methylpyrazole
CID 134224471
7-[bis(2-chlorophenyl)methyl]-2-pyrimidin-4-yl-7-azabicyclo[2.2.1]heptan-2-ol
CID 142241678
1-(2-chlorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112681183
2-[3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-pyridazin-3-ylacetamide
CID 166256119
3-(2-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 115046614
8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 71196947

Frequently Asked Questions

What is the IUPAC name of 8-[bis(2-chlorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-1-ol?
The IUPAC name of 8-[bis(2-chlorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-1-ol (CID 91539220) is 8-[bis(2-chlorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-1-ol.
What is the SMILES notation for 8-[bis(2-chlorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-1-ol?
The canonical SMILES for 8-[bis(2-chlorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-1-ol is Cn1nccc1C1CC2CCC(O)(C1)N2C(c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 8-[bis(2-chlorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-1-ol?
The InChIKey is BHUYGYPDFVLOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O/c1-28-22(11-13-27-28)16-14-17-10-12-24(30,15-16)29(17)23(18-6-2-4-8-20(18)25)19-7-3-5-9-21(19)26/h2-9,11,13,16-17,23,30H,10,12,14-15H2,1H3.
What are the key properties of 8-[bis(2-chlorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-1-ol?
8-[bis(2-chlorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-1-ol has a molecular weight of 442.39 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[bis(2-chlorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-1-ol is sourced from PubChem (CID 91539220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).