(3Z)-6-methoxy-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-2-one

C13H11N3O2 — CID 177373781

IUPAC(3Z)-6-methoxy-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-2-one
SMILESCOc1ccc2c(c1)NC(=O)/C2=C\c1ccn[nH]1
InChIInChI=1S/C13H11N3O2/c1-18-9-2-3-10-11(6-8-4-5-14-16-8)13(17)15-12(10)7-9/h2-7H,1H3,(H,14,16)(H,15,17)/b11-6-
InChIKeyUTGOCBZUMJMJSH-WDZFZDKYSA-N
MW241.25 g/mol
LogP1.91
Rot. Bonds2

About (3Z)-6-methoxy-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-2-one

(3Z)-6-methoxy-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-2-one (PubChem CID 177373781) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is (3Z)-6-methoxy-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-6-methoxy-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-2-one
PubChem CID177373781
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name(3Z)-6-methoxy-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-2-one
SMILESCOc1ccc2c(c1)NC(=O)/C2=C\c1ccn[nH]1
InChIInChI=1S/C13H11N3O2/c1-18-9-2-3-10-11(6-8-4-5-14-16-8)13(17)15-12(10)7-9/h2-7H,1H3,(H,14,16)(H,15,17)/b11-6-
InChIKeyUTGOCBZUMJMJSH-WDZFZDKYSA-N
XLogP1.91
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.91
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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Related Compounds

N-1H-Indazol-5-yl-4-methoxybenzamide
CID 3348038
4-ethoxy-N-(1H-indazol-5-yl)benzamide
CID 6464232
N-(3-methoxyphenyl)-1H-indazole-3-carboxamide
CID 16866354
N-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1H-pyrazole-5-carboxamide
CID 166629984
N-(1-{[(2,6-dimethylphenyl)amino]carbonyl}cyclohexyl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 1205217
(3Z)-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one
CID 136961553
(3Z)-5-methoxy-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one
CID 136961556
(3Z)-6-methoxy-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 21957735
N-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 154693131
N-(3-methoxyphenyl)-1H-indazole-7-carboxamide
CID 25588369
7-methoxy-3-({methyl[2-(1H-pyrazol-4-yl)ethyl]amino}methyl)-2-quinolinol
CID 56710027
N-(3,4-dimethoxyphenyl)-1H-indazole-6-carboxamide
CID 118709468

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-methoxy-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-6-methoxy-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-2-one (CID 177373781) is (3Z)-6-methoxy-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-6-methoxy-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-6-methoxy-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-2-one is COc1ccc2c(c1)NC(=O)/C2=C\c1ccn[nH]1.
What is the InChIKey of (3Z)-6-methoxy-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-2-one?
The InChIKey is UTGOCBZUMJMJSH-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-18-9-2-3-10-11(6-8-4-5-14-16-8)13(17)15-12(10)7-9/h2-7H,1H3,(H,14,16)(H,15,17)/b11-6-.
What are the key properties of (3Z)-6-methoxy-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-2-one?
(3Z)-6-methoxy-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-2-one has a molecular weight of 241.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-methoxy-3-(1H-pyrazol-5-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 177373781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).