8-methoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-azabicyclo[3.2.1]octane

C19H25N3O — CID 156608734

IUPAC8-methoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-azabicyclo[3.2.1]octane
SMILESCOC1C2CCC1CN(Cc1ccccc1Cn1cccn1)C2
InChIInChI=1S/C19H25N3O/c1-23-19-17-7-8-18(19)13-21(12-17)11-15-5-2-3-6-16(15)14-22-10-4-9-20-22/h2-6,9-10,17-19H,7-8,11-14H2,1H3
InChIKeySEQBEVAJRARTFA-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.79
Rot. Bonds5

About 8-methoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-azabicyclo[3.2.1]octane

8-methoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-azabicyclo[3.2.1]octane (PubChem CID 156608734) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 8-methoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-azabicyclo[3.2.1]octane
PubChem CID156608734
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name8-methoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-azabicyclo[3.2.1]octane
SMILESCOC1C2CCC1CN(Cc1ccccc1Cn1cccn1)C2
InChIInChI=1S/C19H25N3O/c1-23-19-17-7-8-18(19)13-21(12-17)11-15-5-2-3-6-16(15)14-22-10-4-9-20-22/h2-6,9-10,17-19H,7-8,11-14H2,1H3
InChIKeySEQBEVAJRARTFA-UHFFFAOYSA-N
XLogP2.79
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-amine;dihydrochloride
CID 154906169
(2R)-1-methyl-2-phenyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
CID 124757280
(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-ol
CID 56854930
4-[[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-2-phenyl-1,3-oxazole
CID 74235764
8-methoxy-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.2.1]octane
CID 156609533
(1R,5S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane
CID 77098146
N'-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109443548
(1R,5R)-3-methylsulfonyl-6-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 70715281
cyclopropyl-[(1S,5S)-7-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
CID 169414621
1,1-dimethyl-3-[(3S,4R)-4-propan-2-yl-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]urea
CID 72900456
(1R,5S)-3-[(5-ethyl-2-pyridinyl)methyl]-8-methoxy-3-azabicyclo[3.2.1]octane
CID 77086588
4-ethyl-3-[(3R)-1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95207263

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-azabicyclo[3.2.1]octane?
The IUPAC name of 8-methoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-azabicyclo[3.2.1]octane (CID 156608734) is 8-methoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-methoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-azabicyclo[3.2.1]octane is COC1C2CCC1CN(Cc1ccccc1Cn1cccn1)C2.
What is the InChIKey of 8-methoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-azabicyclo[3.2.1]octane?
The InChIKey is SEQBEVAJRARTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-23-19-17-7-8-18(19)13-21(12-17)11-15-5-2-3-6-16(15)14-22-10-4-9-20-22/h2-6,9-10,17-19H,7-8,11-14H2,1H3.
What are the key properties of 8-methoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-azabicyclo[3.2.1]octane?
8-methoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-azabicyclo[3.2.1]octane has a molecular weight of 311.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 156608734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).