(2S,4'S)-4'-(4-methylphenyl)spiro[3,4-dihydronaphthalene-2,5'-3,4-dihydropyrazole]-1-one

C19H18N2O — CID 7313502

IUPAC(2S,4'S)-4'-(4-methylphenyl)spiro[3,4-dihydronaphthalene-2,5'-3,4-dihydropyrazole]-1-one
SMILESCc1ccc([C@H]2CN=N[C@@]23CCc2ccccc2C3=O)cc1
InChIInChI=1S/C19H18N2O/c1-13-6-8-15(9-7-13)17-12-20-21-19(17)11-10-14-4-2-3-5-16(14)18(19)22/h2-9,17H,10-12H2,1H3/t17-,19+/m1/s1
InChIKeyJUXIXWFVFXPKRI-MJGOQNOKSA-N
MW290.37 g/mol
LogP4.11
Rot. Bonds1

About (2S,4'S)-4'-(4-methylphenyl)spiro[3,4-dihydronaphthalene-2,5'-3,4-dihydropyrazole]-1-one

(2S,4'S)-4'-(4-methylphenyl)spiro[3,4-dihydronaphthalene-2,5'-3,4-dihydropyrazole]-1-one (PubChem CID 7313502) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is (2S,4'S)-4'-(4-methylphenyl)spiro[3,4-dihydronaphthalene-2,5'-3,4-dihydropyrazole]-1-one.

Molecular Properties

Compound Name(2S,4'S)-4'-(4-methylphenyl)spiro[3,4-dihydronaphthalene-2,5'-3,4-dihydropyrazole]-1-one
PubChem CID7313502
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name(2S,4'S)-4'-(4-methylphenyl)spiro[3,4-dihydronaphthalene-2,5'-3,4-dihydropyrazole]-1-one
SMILESCc1ccc([C@H]2CN=N[C@@]23CCc2ccccc2C3=O)cc1
InChIInChI=1S/C19H18N2O/c1-13-6-8-15(9-7-13)17-12-20-21-19(17)11-10-14-4-2-3-5-16(14)18(19)22/h2-9,17H,10-12H2,1H3/t17-,19+/m1/s1
InChIKeyJUXIXWFVFXPKRI-MJGOQNOKSA-N
XLogP4.11
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,4'S)-4'-(4-methylphenyl)spiro[3,4-dihydronaphthalene-2,5'-3,4-dihydropyrazole]-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-bromophenyl)spiro[3,4-dihydropyrazole-5,6'-8,9-dihydro-7H-benzo[7]annulene]-5'-one
CID 10547045
(4S,5S)-4-(3-methoxyphenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one
CID 7200871
2-methyl-2-(4-methylphenyl)-3,4-dihydronaphthalen-1-one
CID 86243907
(3R,4'S)-4'-(4-methoxyphenyl)spiro[2H-chromene-3,5'-3,4-dihydropyrazole]-4-one
CID 7200676
(4R,5R)-4-(2-chlorophenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one
CID 15419876
CID 10949890
CID 10949890
4'-(4-methylphenyl)-1',3'-diphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one
CID 15866587
(2R)-2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one
CID 14120941
(2R,3'S)-3'-propan-2-ylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 15356461
(2S,3'R)-3'-propylspiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 134964852
(2S,3'S)-3'-(4-chlorophenyl)spiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 6933126
(2S,2'S,4'S)-4'-hydroxy-2'-(4-methylphenyl)spiro[3H-indene-2,3'-thiolane]-1-one
CID 177387348

Frequently Asked Questions

What is the IUPAC name of (2S,4'S)-4'-(4-methylphenyl)spiro[3,4-dihydronaphthalene-2,5'-3,4-dihydropyrazole]-1-one?
The IUPAC name of (2S,4'S)-4'-(4-methylphenyl)spiro[3,4-dihydronaphthalene-2,5'-3,4-dihydropyrazole]-1-one (CID 7313502) is (2S,4'S)-4'-(4-methylphenyl)spiro[3,4-dihydronaphthalene-2,5'-3,4-dihydropyrazole]-1-one.
What is the SMILES notation for (2S,4'S)-4'-(4-methylphenyl)spiro[3,4-dihydronaphthalene-2,5'-3,4-dihydropyrazole]-1-one?
The canonical SMILES for (2S,4'S)-4'-(4-methylphenyl)spiro[3,4-dihydronaphthalene-2,5'-3,4-dihydropyrazole]-1-one is Cc1ccc([C@H]2CN=N[C@@]23CCc2ccccc2C3=O)cc1.
What is the InChIKey of (2S,4'S)-4'-(4-methylphenyl)spiro[3,4-dihydronaphthalene-2,5'-3,4-dihydropyrazole]-1-one?
The InChIKey is JUXIXWFVFXPKRI-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H18N2O/c1-13-6-8-15(9-7-13)17-12-20-21-19(17)11-10-14-4-2-3-5-16(14)18(19)22/h2-9,17H,10-12H2,1H3/t17-,19+/m1/s1.
What are the key properties of (2S,4'S)-4'-(4-methylphenyl)spiro[3,4-dihydronaphthalene-2,5'-3,4-dihydropyrazole]-1-one?
(2S,4'S)-4'-(4-methylphenyl)spiro[3,4-dihydronaphthalene-2,5'-3,4-dihydropyrazole]-1-one has a molecular weight of 290.37 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4'S)-4'-(4-methylphenyl)spiro[3,4-dihydronaphthalene-2,5'-3,4-dihydropyrazole]-1-one is sourced from PubChem (CID 7313502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).