8-[(3-methoxyphenyl)methyl]-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane

C19H25N3O — CID 154583235

IUPAC8-[(3-methoxyphenyl)methyl]-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane
SMILESCOc1cccc(CN2C3CCC2CC(n2cc(C)cn2)C3)c1
InChIInChI=1S/C19H25N3O/c1-14-11-20-22(12-14)18-9-16-6-7-17(10-18)21(16)13-15-4-3-5-19(8-15)23-2/h3-5,8,11-12,16-18H,6-7,9-10,13H2,1-2H3
InChIKeyPLDSUVVHHDQELP-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.57
Rot. Bonds4

About 8-[(3-methoxyphenyl)methyl]-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane

8-[(3-methoxyphenyl)methyl]-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane (PubChem CID 154583235) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 8-[(3-methoxyphenyl)methyl]-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[(3-methoxyphenyl)methyl]-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane
PubChem CID154583235
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name8-[(3-methoxyphenyl)methyl]-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane
SMILESCOc1cccc(CN2C3CCC2CC(n2cc(C)cn2)C3)c1
InChIInChI=1S/C19H25N3O/c1-14-11-20-22(12-14)18-9-16-6-7-17(10-18)21(16)13-15-4-3-5-19(8-15)23-2/h3-5,8,11-12,16-18H,6-7,9-10,13H2,1-2H3
InChIKeyPLDSUVVHHDQELP-UHFFFAOYSA-N
XLogP3.57
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[(3-methoxyphenyl)methyl]-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233101
2-[(3-methoxyphenyl)methoxy]-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 95280540
9-[(3-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
CID 139648283
(1S,9R)-12-[(3-methoxyphenyl)methyl]-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 95857543
(1S,2R,6S,7R)-10-[(3-methoxyphenyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane
CID 121495039
1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride
CID 44630925
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328544
2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 63386922
4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol
CID 110929708
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
(3aS,4R,7S,7aR)-2-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 51427389
1-(3-fluorocyclopentyl)-4-methylpyrazole
CID 84731747

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methoxyphenyl)methyl]-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-[(3-methoxyphenyl)methyl]-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane (CID 154583235) is 8-[(3-methoxyphenyl)methyl]-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[(3-methoxyphenyl)methyl]-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-[(3-methoxyphenyl)methyl]-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane is COc1cccc(CN2C3CCC2CC(n2cc(C)cn2)C3)c1.
What is the InChIKey of 8-[(3-methoxyphenyl)methyl]-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane?
The InChIKey is PLDSUVVHHDQELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-11-20-22(12-14)18-9-16-6-7-17(10-18)21(16)13-15-4-3-5-19(8-15)23-2/h3-5,8,11-12,16-18H,6-7,9-10,13H2,1-2H3.
What are the key properties of 8-[(3-methoxyphenyl)methyl]-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane?
8-[(3-methoxyphenyl)methyl]-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane has a molecular weight of 311.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methoxyphenyl)methyl]-3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 154583235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).