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

C19H15N3O2 — CID 136961553

IUPAC(3Z)-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one
SMILESCOc1ccc(-c2cc(/C=C3\C(=O)Nc4ccccc43)[nH]n2)cc1
InChIInChI=1S/C19H15N3O2/c1-24-14-8-6-12(7-9-14)18-11-13(21-22-18)10-16-15-4-2-3-5-17(15)20-19(16)23/h2-11H,1H3,(H,20,23)(H,21,22)/b16-10-
InChIKeyDCUBQOUOHIYSBS-YBEGLDIGSA-N
MW317.35 g/mol
LogP3.58
Rot. Bonds3

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

(3Z)-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one (PubChem CID 136961553) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is (3Z)-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one
PubChem CID136961553
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name(3Z)-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one
SMILESCOc1ccc(-c2cc(/C=C3\C(=O)Nc4ccccc43)[nH]n2)cc1
InChIInChI=1S/C19H15N3O2/c1-24-14-8-6-12(7-9-14)18-11-13(21-22-18)10-16-15-4-2-3-5-17(15)20-19(16)23/h2-11H,1H3,(H,20,23)(H,21,22)/b16-10-
InChIKeyDCUBQOUOHIYSBS-YBEGLDIGSA-N
XLogP3.58
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one (CID 136961553) is (3Z)-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one is COc1ccc(-c2cc(/C=C3\C(=O)Nc4ccccc43)[nH]n2)cc1.
What is the InChIKey of (3Z)-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one?
The InChIKey is DCUBQOUOHIYSBS-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-24-14-8-6-12(7-9-14)18-11-13(21-22-18)10-16-15-4-2-3-5-17(15)20-19(16)23/h2-11H,1H3,(H,20,23)(H,21,22)/b16-10-.
What are the key properties of (3Z)-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one?
(3Z)-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one has a molecular weight of 317.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 136961553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).