8-methoxy-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.2.1]octane

C19H25N3O2 — CID 156609533

IUPAC8-methoxy-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.2.1]octane
SMILESCOc1ccccc1-n1cc(CN2CC3CCC(C2)C3OC)cn1
InChIInChI=1S/C19H25N3O2/c1-23-18-6-4-3-5-17(18)22-11-14(9-20-22)10-21-12-15-7-8-16(13-21)19(15)24-2/h3-6,9,11,15-16,19H,7-8,10,12-13H2,1-2H3
InChIKeyCQFINBWCNOUDKZ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.74
Rot. Bonds5

About 8-methoxy-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.2.1]octane

8-methoxy-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.2.1]octane (PubChem CID 156609533) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 8-methoxy-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methoxy-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.2.1]octane
PubChem CID156609533
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name8-methoxy-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.2.1]octane
SMILESCOc1ccccc1-n1cc(CN2CC3CCC(C2)C3OC)cn1
InChIInChI=1S/C19H25N3O2/c1-23-18-6-4-3-5-17(18)22-11-14(9-20-22)10-21-12-15-7-8-16(13-21)19(15)24-2/h3-6,9,11,15-16,19H,7-8,10,12-13H2,1-2H3
InChIKeyCQFINBWCNOUDKZ-UHFFFAOYSA-N
XLogP2.74
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]morpholine
CID 45219237
(3R)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 99946181
1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine
CID 74230143
2-[(2S)-1-cyclopentyl-4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
CID 28925095
4-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]sulfonylmorpholine
CID 131935843
(7S,9aR)-2-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-7,8-dimethyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 56852323
4-[[3-(2-methoxyphenoxy)azetidin-1-yl]methyl]-1-phenylpyrazole
CID 56915280
(7S,9aR)-7-ethyl-2-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56856127
(5S)-9-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97186663
(3R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]thiolan-3-amine
CID 95149374
(7S,9aR)-2-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56856634
3-cyclopropyl-5-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 74233839

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.2.1]octane?
The IUPAC name of 8-methoxy-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.2.1]octane (CID 156609533) is 8-methoxy-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methoxy-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-methoxy-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.2.1]octane is COc1ccccc1-n1cc(CN2CC3CCC(C2)C3OC)cn1.
What is the InChIKey of 8-methoxy-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.2.1]octane?
The InChIKey is CQFINBWCNOUDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-23-18-6-4-3-5-17(18)22-11-14(9-20-22)10-21-12-15-7-8-16(13-21)19(15)24-2/h3-6,9,11,15-16,19H,7-8,10,12-13H2,1-2H3.
What are the key properties of 8-methoxy-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.2.1]octane?
8-methoxy-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.2.1]octane has a molecular weight of 327.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 156609533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).