(4S,5S)-4-(3-methoxyphenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one

C18H16N2O2 — CID 7200871

IUPAC(4S,5S)-4-(3-methoxyphenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one
SMILESCOc1cccc([C@H]2CN=N[C@@]23Cc2ccccc2C3=O)c1
InChIInChI=1S/C18H16N2O2/c1-22-14-7-4-6-12(9-14)16-11-19-20-18(16)10-13-5-2-3-8-15(13)17(18)21/h2-9,16H,10-11H2,1H3/t16-,18+/m1/s1
InChIKeyUJWXMZPSBMKKMZ-AEFFLSMTSA-N
MW292.34 g/mol
LogP3.42
Rot. Bonds2

About (4S,5S)-4-(3-methoxyphenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one

(4S,5S)-4-(3-methoxyphenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one (PubChem CID 7200871) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (4S,5S)-4-(3-methoxyphenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one.

Molecular Properties

Compound Name(4S,5S)-4-(3-methoxyphenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one
PubChem CID7200871
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(4S,5S)-4-(3-methoxyphenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one
SMILESCOc1cccc([C@H]2CN=N[C@@]23Cc2ccccc2C3=O)c1
InChIInChI=1S/C18H16N2O2/c1-22-14-7-4-6-12(9-14)16-11-19-20-18(16)10-13-5-2-3-8-15(13)17(18)21/h2-9,16H,10-11H2,1H3/t16-,18+/m1/s1
InChIKeyUJWXMZPSBMKKMZ-AEFFLSMTSA-N
XLogP3.42
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,2'S)-2'-(3-methoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473548
(2'R)-2'-(3-methoxyphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydrochromene]-2,4,6-trione
CID 125430159
2-[2-(3-methoxyphenyl)aziridin-1-yl]isoindole-1,3-dione
CID 13275798
(8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one
CID 125450834
1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene
CID 101067794
2-(3-methoxyphenyl)-1,3-dioxolane
CID 11062994
(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
CID 129415891
3-(3-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 146276535
5-hydroxy-4-(3-methoxyphenyl)-5-methylpyrrolidin-2-one
CID 71170186
dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate
CID 132540324
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
4-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydro-1H-isoquinoline
CID 12640128

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(3-methoxyphenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one?
The IUPAC name of (4S,5S)-4-(3-methoxyphenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one (CID 7200871) is (4S,5S)-4-(3-methoxyphenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one.
What is the SMILES notation for (4S,5S)-4-(3-methoxyphenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one?
The canonical SMILES for (4S,5S)-4-(3-methoxyphenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one is COc1cccc([C@H]2CN=N[C@@]23Cc2ccccc2C3=O)c1.
What is the InChIKey of (4S,5S)-4-(3-methoxyphenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one?
The InChIKey is UJWXMZPSBMKKMZ-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-22-14-7-4-6-12(9-14)16-11-19-20-18(16)10-13-5-2-3-8-15(13)17(18)21/h2-9,16H,10-11H2,1H3/t16-,18+/m1/s1.
What are the key properties of (4S,5S)-4-(3-methoxyphenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one?
(4S,5S)-4-(3-methoxyphenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one has a molecular weight of 292.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(3-methoxyphenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one is sourced from PubChem (CID 7200871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).