[3-(3-ethylphenoxy)azetidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone

C20H20N4O2 — CID 70754674

IUPAC[3-(3-ethylphenoxy)azetidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
SMILESCCc1cccc(OC2CN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)c1
InChIInChI=1S/C20H20N4O2/c1-2-14-4-3-5-16(10-14)26-17-12-24(13-17)20(25)19-11-18(22-23-19)15-6-8-21-9-7-15/h3-11,17H,2,12-13H2,1H3,(H,22,23)
InChIKeyVBKGRLIBLJVKIM-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.94
Rot. Bonds5

About [3-(3-ethylphenoxy)azetidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone

[3-(3-ethylphenoxy)azetidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone (PubChem CID 70754674) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is [3-(3-ethylphenoxy)azetidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(3-ethylphenoxy)azetidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
PubChem CID70754674
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name[3-(3-ethylphenoxy)azetidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
SMILESCCc1cccc(OC2CN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)c1
InChIInChI=1S/C20H20N4O2/c1-2-14-4-3-5-16(10-14)26-17-12-24(13-17)20(25)19-11-18(22-23-19)15-6-8-21-9-7-15/h3-11,17H,2,12-13H2,1H3,(H,22,23)
InChIKeyVBKGRLIBLJVKIM-UHFFFAOYSA-N
XLogP2.94
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-1-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]ethanone
CID 53087750
[3-(3-ethylphenoxy)azetidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 74234486
[3-(3-ethylphenoxy)azetidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70730822
(3-phenyl-1H-pyrazol-5-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247037
4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155625
[3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 72865427
[3-(3-ethylphenoxy)azetidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 77078846
2-[1-(3-phenyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249025
[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84513638
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 90636842
1-cyclopropyl-4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121156027
(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 166214851

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethylphenoxy)azetidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-(3-ethylphenoxy)azetidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone (CID 70754674) is [3-(3-ethylphenoxy)azetidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-(3-ethylphenoxy)azetidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-(3-ethylphenoxy)azetidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone is CCc1cccc(OC2CN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)c1.
What is the InChIKey of [3-(3-ethylphenoxy)azetidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is VBKGRLIBLJVKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-2-14-4-3-5-16(10-14)26-17-12-24(13-17)20(25)19-11-18(22-23-19)15-6-8-21-9-7-15/h3-11,17H,2,12-13H2,1H3,(H,22,23).
What are the key properties of [3-(3-ethylphenoxy)azetidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
[3-(3-ethylphenoxy)azetidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 348.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethylphenoxy)azetidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 70754674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).