(3Z)-3-[[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one

C20H17N3O3 — CID 136961560

IUPAC(3Z)-3-[[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one
SMILESCOc1ccc(-c2cc(/C=C3\C(=O)Nc4ccccc43)[nH]n2)cc1OC
InChIInChI=1S/C20H17N3O3/c1-25-18-8-7-12(9-19(18)26-2)17-11-13(22-23-17)10-15-14-5-3-4-6-16(14)21-20(15)24/h3-11H,1-2H3,(H,21,24)(H,22,23)/b15-10-
InChIKeyFAYPMKOPLYBXCF-GDNBJRDFSA-N
MW347.37 g/mol
LogP3.59
Rot. Bonds4

About (3Z)-3-[[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one

(3Z)-3-[[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one (PubChem CID 136961560) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is (3Z)-3-[[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one
PubChem CID136961560
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name(3Z)-3-[[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one
SMILESCOc1ccc(-c2cc(/C=C3\C(=O)Nc4ccccc43)[nH]n2)cc1OC
InChIInChI=1S/C20H17N3O3/c1-25-18-8-7-12(9-19(18)26-2)17-11-13(22-23-17)10-15-14-5-3-4-6-16(14)21-20(15)24/h3-11H,1-2H3,(H,21,24)(H,22,23)/b15-10-
InChIKeyFAYPMKOPLYBXCF-GDNBJRDFSA-N
XLogP3.59
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5342941
N-(1H-indazol-5-yl)-3,4-dimethoxybenzamide
CID 6467207
3-(1,3-benzodioxol-5-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-pyrazole-5-carbohydrazide
CID 9619635
(R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpiperazin-1-yl)-1-oxoisoindolin-2-yl)butyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 25124736
N-((R)-4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindolin-2-yl)butyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 44596967
(E)-1-(4-aminophenyl)-3-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one
CID 117928209
(E)-1-(3,4-dimethoxyphenyl)-3-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one
CID 117928347
(E)-1-(1,3-benzodioxol-5-yl)-3-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one
CID 117928408
(E)-1-(3,4-dimethoxyphenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one
CID 117935720
N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide
CID 22978281
3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 35532110
4-(3,4-Dimethoxyphenyl)-3-(4-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 2890146

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one (CID 136961560) is (3Z)-3-[[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one is COc1ccc(-c2cc(/C=C3\C(=O)Nc4ccccc43)[nH]n2)cc1OC.
What is the InChIKey of (3Z)-3-[[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one?
The InChIKey is FAYPMKOPLYBXCF-GDNBJRDFSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-25-18-8-7-12(9-19(18)26-2)17-11-13(22-23-17)10-15-14-5-3-4-6-16(14)21-20(15)24/h3-11H,1-2H3,(H,21,24)(H,22,23)/b15-10-.
What are the key properties of (3Z)-3-[[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one?
(3Z)-3-[[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one has a molecular weight of 347.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 136961560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).