8-benzyl-3-[3-(trifluoromethyl)pyrazol-1-yl]-8-azabicyclo[3.2.1]octane

C18H20F3N3 — CID 71225950

IUPAC8-benzyl-3-[3-(trifluoromethyl)pyrazol-1-yl]-8-azabicyclo[3.2.1]octane
SMILESFC(F)(F)c1ccn(C2CC3CCC(C2)N3Cc2ccccc2)n1
InChIInChI=1S/C18H20F3N3/c19-18(20,21)17-8-9-24(22-17)16-10-14-6-7-15(11-16)23(14)12-13-4-2-1-3-5-13/h1-5,8-9,14-16H,6-7,10-12H2
InChIKeyLWEOJLNMEVVCHZ-UHFFFAOYSA-N
MW335.37 g/mol
LogP4.27
Rot. Bonds3

About 8-benzyl-3-[3-(trifluoromethyl)pyrazol-1-yl]-8-azabicyclo[3.2.1]octane

8-benzyl-3-[3-(trifluoromethyl)pyrazol-1-yl]-8-azabicyclo[3.2.1]octane (PubChem CID 71225950) has the molecular formula C18H20F3N3 and a molecular weight of 335.37 g/mol. Its IUPAC name is 8-benzyl-3-[3-(trifluoromethyl)pyrazol-1-yl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-benzyl-3-[3-(trifluoromethyl)pyrazol-1-yl]-8-azabicyclo[3.2.1]octane
PubChem CID71225950
Molecular FormulaC18H20F3N3
Molecular Weight335.37 g/mol
Exact Mass335.16
IUPAC Name8-benzyl-3-[3-(trifluoromethyl)pyrazol-1-yl]-8-azabicyclo[3.2.1]octane
SMILESFC(F)(F)c1ccn(C2CC3CCC(C2)N3Cc2ccccc2)n1
InChIInChI=1S/C18H20F3N3/c19-18(20,21)17-8-9-24(22-17)16-10-14-6-7-15(11-16)23(14)12-13-4-2-1-3-5-13/h1-5,8-9,14-16H,6-7,10-12H2
InChIKeyLWEOJLNMEVVCHZ-UHFFFAOYSA-N
XLogP4.27
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-benzyl-3-[3-(trifluoromethyl)pyrazol-1-yl]-8-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane
CID 154275315
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylhydroxylamine
CID 143720504
10-benzyl-4-(trifluoromethyl)-10-azabicyclo[4.3.1]decan-3-ol
CID 171936976
3-[[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]benzoic acid
CID 122032737
8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane
CID 123647586
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
CID 171940233
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
8-benzyl-3-[2-(trifluoromethyl)-4-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171954342
2-benzyl-5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,3,4-thiadiazole
CID 133452904

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-[3-(trifluoromethyl)pyrazol-1-yl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-benzyl-3-[3-(trifluoromethyl)pyrazol-1-yl]-8-azabicyclo[3.2.1]octane (CID 71225950) is 8-benzyl-3-[3-(trifluoromethyl)pyrazol-1-yl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-benzyl-3-[3-(trifluoromethyl)pyrazol-1-yl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-benzyl-3-[3-(trifluoromethyl)pyrazol-1-yl]-8-azabicyclo[3.2.1]octane is FC(F)(F)c1ccn(C2CC3CCC(C2)N3Cc2ccccc2)n1.
What is the InChIKey of 8-benzyl-3-[3-(trifluoromethyl)pyrazol-1-yl]-8-azabicyclo[3.2.1]octane?
The InChIKey is LWEOJLNMEVVCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3/c19-18(20,21)17-8-9-24(22-17)16-10-14-6-7-15(11-16)23(14)12-13-4-2-1-3-5-13/h1-5,8-9,14-16H,6-7,10-12H2.
What are the key properties of 8-benzyl-3-[3-(trifluoromethyl)pyrazol-1-yl]-8-azabicyclo[3.2.1]octane?
8-benzyl-3-[3-(trifluoromethyl)pyrazol-1-yl]-8-azabicyclo[3.2.1]octane has a molecular weight of 335.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-[3-(trifluoromethyl)pyrazol-1-yl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 71225950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).