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

C17H13ClN2O — CID 15419876

IUPAC(4R,5R)-4-(2-chlorophenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one
SMILESO=C1c2ccccc2C[C@]12N=NC[C@H]2c1ccccc1Cl
InChIInChI=1S/C17H13ClN2O/c18-15-8-4-3-7-13(15)14-10-19-20-17(14)9-11-5-1-2-6-12(11)16(17)21/h1-8,14H,9-10H2/t14-,17+/m0/s1
InChIKeyGOJFZYUKIHSNAZ-WMLDXEAASA-N
MW296.76 g/mol
LogP4.07
Rot. Bonds1

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

(4R,5R)-4-(2-chlorophenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one (PubChem CID 15419876) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is (4R,5R)-4-(2-chlorophenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one.

Molecular Properties

Compound Name(4R,5R)-4-(2-chlorophenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one
PubChem CID15419876
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name(4R,5R)-4-(2-chlorophenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one
SMILESO=C1c2ccccc2C[C@]12N=NC[C@H]2c1ccccc1Cl
InChIInChI=1S/C17H13ClN2O/c18-15-8-4-3-7-13(15)14-10-19-20-17(14)9-11-5-1-2-6-12(11)16(17)21/h1-8,14H,9-10H2/t14-,17+/m0/s1
InChIKeyGOJFZYUKIHSNAZ-WMLDXEAASA-N
XLogP4.07
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5S)-4-(3-methoxyphenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one
CID 7200871
(2S,4'S)-4'-(4-methylphenyl)spiro[3,4-dihydronaphthalene-2,5'-3,4-dihydropyrazole]-1-one
CID 7313502
4-(4-bromophenyl)spiro[3,4-dihydropyrazole-5,6'-8,9-dihydro-7H-benzo[7]annulene]-5'-one
CID 10547045
(2S)-2-(2-chlorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 129404838
(1R)-1-(2-chlorophenyl)-2,4-dihydro-1H-isoquinolin-3-one
CID 737010
2-(2,3-dihydro-1H-inden-1-yl)-2-methyl-3H-inden-1-one
CID 11737107
(3S)-3-[(2R)-2-fluoro-3-oxo-1H-inden-2-yl]-3H-2-benzofuran-1-one
CID 134959551
(1R,2R)-1-benzylspiro[1,3-dihydroindene-2,2'-3H-indene]-1'-one
CID 11616801
(2R,3'S)-3'-propan-2-ylspiro[3H-indene-2,2'-oxirane]-1-one
CID 102246786
(2S,3R,4'S)-4'-(4-chlorophenyl)-2-phenylspiro[2H-chromene-3,5'-3,4-dihydropyrazole]-4-one
CID 98388068
10-(2-chlorophenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 3113144
2,2-bis(trifluoromethyl)-3H-inden-1-one
CID 10015841

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-(2-chlorophenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one?
The IUPAC name of (4R,5R)-4-(2-chlorophenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one (CID 15419876) is (4R,5R)-4-(2-chlorophenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one.
What is the SMILES notation for (4R,5R)-4-(2-chlorophenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one?
The canonical SMILES for (4R,5R)-4-(2-chlorophenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one is O=C1c2ccccc2C[C@]12N=NC[C@H]2c1ccccc1Cl.
What is the InChIKey of (4R,5R)-4-(2-chlorophenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one?
The InChIKey is GOJFZYUKIHSNAZ-WMLDXEAASA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-15-8-4-3-7-13(15)14-10-19-20-17(14)9-11-5-1-2-6-12(11)16(17)21/h1-8,14H,9-10H2/t14-,17+/m0/s1.
What are the key properties of (4R,5R)-4-(2-chlorophenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one?
(4R,5R)-4-(2-chlorophenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one has a molecular weight of 296.76 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-(2-chlorophenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one is sourced from PubChem (CID 15419876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).