5-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one

C19H21N5O3 — CID 139000306

IUPAC5-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCCOc1ccc(C2CCCN2C(=O)Cn2ncn3nccc3c2=O)cc1
InChIInChI=1S/C19H21N5O3/c1-2-27-15-7-5-14(6-8-15)16-4-3-11-22(16)18(25)12-23-19(26)17-9-10-20-24(17)13-21-23/h5-10,13,16H,2-4,11-12H2,1H3
InChIKeyCKCOCTHNKJAFOR-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.65
Rot. Bonds5

About 5-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one

5-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 139000306) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID139000306
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name5-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCCOc1ccc(C2CCCN2C(=O)Cn2ncn3nccc3c2=O)cc1
InChIInChI=1S/C19H21N5O3/c1-2-27-15-7-5-14(6-8-15)16-4-3-11-22(16)18(25)12-23-19(26)17-9-10-20-24(17)13-21-23/h5-10,13,16H,2-4,11-12H2,1H3
InChIKeyCKCOCTHNKJAFOR-UHFFFAOYSA-N
XLogP1.65
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-[2-(3-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 139000299
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CID 99865867
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 110899355
3-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17417633
3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one
CID 51981248
1-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 154750844
1-[2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]imidazole-4,5-dicarbonitrile
CID 124571516
3-[4-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]-1,3-benzoxazol-2-one
CID 18098164
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 110898902
4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazine-1-sulfonamide
CID 146122524
(2S)-2-(4-ethoxyphenyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 5-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 139000306) is 5-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 5-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 5-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one is CCOc1ccc(C2CCCN2C(=O)Cn2ncn3nccc3c2=O)cc1.
What is the InChIKey of 5-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is CKCOCTHNKJAFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-2-27-15-7-5-14(6-8-15)16-4-3-11-22(16)18(25)12-23-19(26)17-9-10-20-24(17)13-21-23/h5-10,13,16H,2-4,11-12H2,1H3.
What are the key properties of 5-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
5-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 367.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 139000306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).