3-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one

C20H18N2O2 — CID 3541773

IUPAC3-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESCOc1ccc(-c2c3c(nn2-c2ccccc2)CCCC3=O)cc1
InChIInChI=1S/C20H18N2O2/c1-24-16-12-10-14(11-13-16)20-19-17(8-5-9-18(19)23)21-22(20)15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9H2,1H3
InChIKeyABBJFGLKAXQNLV-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.07
Rot. Bonds3

About 3-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one

3-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 3541773) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one
PubChem CID3541773
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name3-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESCOc1ccc(-c2c3c(nn2-c2ccccc2)CCCC3=O)cc1
InChIInChI=1S/C20H18N2O2/c1-24-16-12-10-14(11-13-16)20-19-17(8-5-9-18(19)23)21-22(20)15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9H2,1H3
InChIKeyABBJFGLKAXQNLV-UHFFFAOYSA-N
XLogP4.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde
CID 156773816
4-(4-methoxyphenyl)-7,8-dihydro-6H-quinolin-5-one
CID 6463228
4-ethyl-3,5-bis(4-methoxyphenyl)-1-phenylpyrazole
CID 19586817
8,18-dimethoxy-13,14-diphenyl-12,13-diazapentacyclo[14.4.0.02,4.05,10.011,15]icosa-1(16),2(4),5(10),6,8,11,14,17,19-nonaen-3-one
CID 162406920
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492
4-(4-methoxyanilino)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 30316343
1-(4-methoxyphenyl)-3-(2-methylanilino)-6,7-dihydro-5H-indazol-4-one
CID 17035476
5-(4-methoxyphenyl)-6-phenyl-9,10,11,12-tetrahydroindazolo[3,2-a]isoquinoline
CID 50923844
3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)-6,7-dihydro-5H-indazol-4-one
CID 57400251
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
4-amino-3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one
CID 127243784

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one (CID 3541773) is 3-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one is COc1ccc(-c2c3c(nn2-c2ccccc2)CCCC3=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is ABBJFGLKAXQNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-24-16-12-10-14(11-13-16)20-19-17(8-5-9-18(19)23)21-22(20)15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one?
3-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 318.38 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 3541773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).