6,7-dimethoxy-2-(4-methoxyphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one

C19H18N2O4 — CID 2864509

IUPAC6,7-dimethoxy-2-(4-methoxyphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one
SMILESCOc1ccc(C2=NN3C(=O)c4c(ccc(OC)c4OC)C3C2)cc1
InChIInChI=1S/C19H18N2O4/c1-23-12-6-4-11(5-7-12)14-10-15-13-8-9-16(24-2)18(25-3)17(13)19(22)21(15)20-14/h4-9,15H,10H2,1-3H3
InChIKeyVQOMRZOTKBOVLD-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.02
Rot. Bonds4

About 6,7-dimethoxy-2-(4-methoxyphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one

6,7-dimethoxy-2-(4-methoxyphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one (PubChem CID 2864509) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(4-methoxyphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-(4-methoxyphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one
PubChem CID2864509
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name6,7-dimethoxy-2-(4-methoxyphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one
SMILESCOc1ccc(C2=NN3C(=O)c4c(ccc(OC)c4OC)C3C2)cc1
InChIInChI=1S/C19H18N2O4/c1-23-12-6-4-11(5-7-12)14-10-15-13-8-9-16(24-2)18(25-3)17(13)19(22)21(15)20-14/h4-9,15H,10H2,1-3H3
InChIKeyVQOMRZOTKBOVLD-UHFFFAOYSA-N
XLogP3.02
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-6,7-dimethoxy-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one
CID 2939465
6,7-dimethoxy-2-(4-phenylphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one
CID 2864072
(7aR)-3-chloro-10,11-dimethoxy-6-(4-methoxyphenyl)-7,7a-dihydroisoindolo[2,3-a][1,5]benzodiazepin-12-one
CID 1240690
4-[3-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 171343851
4-[(3S)-3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 7121676
5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 10600488
(3S)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazole
CID 7104195
(5S,10bS)-9-chloro-2-(4-methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 124718786
(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7380769
3-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 4309682
2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-methoxypyridine
CID 54440320
2-(4-chlorophenyl)sulfanyl-1-[(3R)-3-(2,3-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 41072437

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(4-methoxyphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one?
The IUPAC name of 6,7-dimethoxy-2-(4-methoxyphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one (CID 2864509) is 6,7-dimethoxy-2-(4-methoxyphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one.
What is the SMILES notation for 6,7-dimethoxy-2-(4-methoxyphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one?
The canonical SMILES for 6,7-dimethoxy-2-(4-methoxyphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one is COc1ccc(C2=NN3C(=O)c4c(ccc(OC)c4OC)C3C2)cc1.
What is the InChIKey of 6,7-dimethoxy-2-(4-methoxyphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one?
The InChIKey is VQOMRZOTKBOVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-12-6-4-11(5-7-12)14-10-15-13-8-9-16(24-2)18(25-3)17(13)19(22)21(15)20-14/h4-9,15H,10H2,1-3H3.
What are the key properties of 6,7-dimethoxy-2-(4-methoxyphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one?
6,7-dimethoxy-2-(4-methoxyphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one has a molecular weight of 338.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(4-methoxyphenyl)-1,9b-dihydropyrazolo[1,5-b]isoindol-5-one is sourced from PubChem (CID 2864509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).