[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone

C20H19N3O2 — CID 97454861

IUPAC[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
SMILESCOc1cccc([C@H]2CCN2C(=O)c2ccc(-c3ccn[nH]3)cc2)c1
InChIInChI=1S/C20H19N3O2/c1-25-17-4-2-3-16(13-17)19-10-12-23(19)20(24)15-7-5-14(6-8-15)18-9-11-21-22-18/h2-9,11,13,19H,10,12H2,1H3,(H,21,22)/t19-/m1/s1
InChIKeyZYMKPWFMZXFLRV-LJQANCHMSA-N
MW333.39 g/mol
LogP3.67
Rot. Bonds4

About [(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone

[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone (PubChem CID 97454861) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is [(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
PubChem CID97454861
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
SMILESCOc1cccc([C@H]2CCN2C(=O)c2ccc(-c3ccn[nH]3)cc2)c1
InChIInChI=1S/C20H19N3O2/c1-25-17-4-2-3-16(13-17)19-10-12-23(19)20(24)15-7-5-14(6-8-15)18-9-11-21-22-18/h2-9,11,13,19H,10,12H2,1H3,(H,21,22)/t19-/m1/s1
InChIKeyZYMKPWFMZXFLRV-LJQANCHMSA-N
XLogP3.67
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465
[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[2-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-1-yl]methanone
CID 118878845
[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 95146953
[2-(3-methoxyphenyl)azetidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 74232527
[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 95121040
(3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 131949881
[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97119728
[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 95127124
(2-anilinopyrimidin-5-yl)-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 72850472
(1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 99928860
(1,5-dimethylpyrrol-2-yl)-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 99928859

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The IUPAC name of [(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone (CID 97454861) is [(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone.
What is the SMILES notation for [(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The canonical SMILES for [(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone is COc1cccc([C@H]2CCN2C(=O)c2ccc(-c3ccn[nH]3)cc2)c1.
What is the InChIKey of [(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The InChIKey is ZYMKPWFMZXFLRV-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-17-4-2-3-16(13-17)19-10-12-23(19)20(24)15-7-5-14(6-8-15)18-9-11-21-22-18/h2-9,11,13,19H,10,12H2,1H3,(H,21,22)/t19-/m1/s1.
What are the key properties of [(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone has a molecular weight of 333.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 97454861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).