1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone

C21H23N3O2 — CID 52528825

IUPAC1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone
SMILESCCOc1ccc([C@H]2CCCN2C(=O)Cc2[nH]nc3ccccc23)cc1
InChIInChI=1S/C21H23N3O2/c1-2-26-16-11-9-15(10-12-16)20-8-5-13-24(20)21(25)14-19-17-6-3-4-7-18(17)22-23-19/h3-4,6-7,9-12,20H,2,5,8,13-14H2,1H3,(H,22,23)/t20-/m1/s1
InChIKeyLSLLQGFSFBKXJV-HXUWFJFHSA-N
MW349.43 g/mol
LogP3.87
Rot. Bonds5

About 1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone

1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone (PubChem CID 52528825) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone
PubChem CID52528825
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone
SMILESCCOc1ccc([C@H]2CCCN2C(=O)Cc2[nH]nc3ccccc23)cc1
InChIInChI=1S/C21H23N3O2/c1-2-26-16-11-9-15(10-12-16)20-8-5-13-24(20)21(25)14-19-17-6-3-4-7-18(17)22-23-19/h3-4,6-7,9-12,20H,2,5,8,13-14H2,1H3,(H,22,23)/t20-/m1/s1
InChIKeyLSLLQGFSFBKXJV-HXUWFJFHSA-N
XLogP3.87
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
2-(benzotriazol-1-yl)-1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 99865867
1-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 94080642
1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 97017462
3-(2,5-dimethoxyphenyl)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 134047616
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 47803445
1-[2-(3-bromophenyl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 55890097
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 110899355
4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazine-1-sulfonamide
CID 146122524
3-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17417633
2-(4-ethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56825085
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 55756886

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone?
The IUPAC name of 1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone (CID 52528825) is 1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone.
What is the SMILES notation for 1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone?
The canonical SMILES for 1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone is CCOc1ccc([C@H]2CCCN2C(=O)Cc2[nH]nc3ccccc23)cc1.
What is the InChIKey of 1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone?
The InChIKey is LSLLQGFSFBKXJV-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-26-16-11-9-15(10-12-16)20-8-5-13-24(20)21(25)14-19-17-6-3-4-7-18(17)22-23-19/h3-4,6-7,9-12,20H,2,5,8,13-14H2,1H3,(H,22,23)/t20-/m1/s1.
What are the key properties of 1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone?
1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone has a molecular weight of 349.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone is sourced from PubChem (CID 52528825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).