(2,4-dimethoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

C20H25N3O3 — CID 154884017

IUPAC(2,4-dimethoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCOc1ccc(C(=O)N2C3CCC2CC(n2cc(C)cn2)C3)c(OC)c1
InChIInChI=1S/C20H25N3O3/c1-13-11-21-22(12-13)16-8-14-4-5-15(9-16)23(14)20(24)18-7-6-17(25-2)10-19(18)26-3/h6-7,10-12,14-16H,4-5,8-9H2,1-3H3
InChIKeyQIUOVRZIIDKHOD-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.22
Rot. Bonds4

About (2,4-dimethoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

(2,4-dimethoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 154884017) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID154884017
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(2,4-dimethoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCOc1ccc(C(=O)N2C3CCC2CC(n2cc(C)cn2)C3)c(OC)c1
InChIInChI=1S/C20H25N3O3/c1-13-11-21-22(12-13)16-8-14-4-5-15(9-16)23(14)20(24)18-7-6-17(25-2)10-19(18)26-3/h6-7,10-12,14-16H,4-5,8-9H2,1-3H3
InChIKeyQIUOVRZIIDKHOD-UHFFFAOYSA-N
XLogP3.22
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-fluoro-4-methoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 154884029
(3-fluoro-4-pyridinyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 154883958
N-[(1R,5S)-8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 91912256
N-[8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
CID 156610369
(2,4-dimethoxyphenyl)-[3-[[(3Z,5Z,7Z)-1-methoxy-2-methyl-2H-azocin-6-yl]methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 142968864
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 789243
1-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]pent-4-en-1-one
CID 154831146
[3-(4-chloropyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methylthiophen-2-yl)methanone
CID 139028758
(2,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 122255428
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673
(1S,5S)-6-(2,4-dimethoxybenzoyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 133128191

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 154884017) is (2,4-dimethoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is COc1ccc(C(=O)N2C3CCC2CC(n2cc(C)cn2)C3)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is QIUOVRZIIDKHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-11-21-22(12-13)16-8-14-4-5-15(9-16)23(14)20(24)18-7-6-17(25-2)10-19(18)26-3/h6-7,10-12,14-16H,4-5,8-9H2,1-3H3.
What are the key properties of (2,4-dimethoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
(2,4-dimethoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 154884017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).