(3Z)-5-(2-methylpyrazol-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one

C17H14N4O — CID 46233106

IUPAC(3Z)-5-(2-methylpyrazol-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
SMILESCn1nccc1-c1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2
InChIInChI=1S/C17H14N4O/c1-21-16(6-8-19-21)11-4-5-15-13(9-11)14(17(22)20-15)10-12-3-2-7-18-12/h2-10,18H,1H3,(H,20,22)/b14-10-
InChIKeyPIZJYUVNIDSKEX-UVTDQMKNSA-N
MW290.33 g/mol
LogP2.91
Rot. Bonds2

About (3Z)-5-(2-methylpyrazol-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one

(3Z)-5-(2-methylpyrazol-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one (PubChem CID 46233106) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is (3Z)-5-(2-methylpyrazol-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-(2-methylpyrazol-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
PubChem CID46233106
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name(3Z)-5-(2-methylpyrazol-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
SMILESCn1nccc1-c1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2
InChIInChI=1S/C17H14N4O/c1-21-16(6-8-19-21)11-4-5-15-13(9-11)14(17(22)20-15)10-12-3-2-7-18-12/h2-10,18H,1H3,(H,20,22)/b14-10-
InChIKeyPIZJYUVNIDSKEX-UVTDQMKNSA-N
XLogP2.91
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z)-5-(2-methylpyrazol-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(2-methylpyrazol-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-5-(2-methylpyrazol-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one (CID 46233106) is (3Z)-5-(2-methylpyrazol-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-(2-methylpyrazol-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-5-(2-methylpyrazol-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one is Cn1nccc1-c1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2.
What is the InChIKey of (3Z)-5-(2-methylpyrazol-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is PIZJYUVNIDSKEX-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H14N4O/c1-21-16(6-8-19-21)11-4-5-15-13(9-11)14(17(22)20-15)10-12-3-2-7-18-12/h2-10,18H,1H3,(H,20,22)/b14-10-.
What are the key properties of (3Z)-5-(2-methylpyrazol-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
(3Z)-5-(2-methylpyrazol-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 290.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(2-methylpyrazol-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 46233106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).