(E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-(dimethylamino)indazol-3-yl]prop-2-enehydrazide

C19H19Cl2N5O — CID 68914103

IUPAC(E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-(dimethylamino)indazol-3-yl]prop-2-enehydrazide
SMILESCN(C)c1ccc2c(/C=C/C(=O)NN)nn(Cc3ccc(Cl)cc3Cl)c2c1
InChIInChI=1S/C19H19Cl2N5O/c1-25(2)14-5-6-15-17(7-8-19(27)23-22)24-26(18(15)10-14)11-12-3-4-13(20)9-16(12)21/h3-10H,11,22H2,1-2H3,(H,23,27)/b8-7+
InChIKeyJGNGGKXSTOZYQG-BQYQJAHWSA-N
MW404.30 g/mol
LogP3.46
Rot. Bonds5

About (E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-(dimethylamino)indazol-3-yl]prop-2-enehydrazide

(E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-(dimethylamino)indazol-3-yl]prop-2-enehydrazide (PubChem CID 68914103) has the molecular formula C19H19Cl2N5O and a molecular weight of 404.30 g/mol. Its IUPAC name is (E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-(dimethylamino)indazol-3-yl]prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-(dimethylamino)indazol-3-yl]prop-2-enehydrazide
PubChem CID68914103
Molecular FormulaC19H19Cl2N5O
Molecular Weight404.30 g/mol
Exact Mass403.10
IUPAC Name(E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-(dimethylamino)indazol-3-yl]prop-2-enehydrazide
SMILESCN(C)c1ccc2c(/C=C/C(=O)NN)nn(Cc3ccc(Cl)cc3Cl)c2c1
InChIInChI=1S/C19H19Cl2N5O/c1-25(2)14-5-6-15-17(7-8-19(27)23-22)24-26(18(15)10-14)11-12-3-4-13(20)9-16(12)21/h3-10H,11,22H2,1-2H3,(H,23,27)/b8-7+
InChIKeyJGNGGKXSTOZYQG-BQYQJAHWSA-N
XLogP3.46
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-(dimethylamino)indazol-3-yl]prop-2-enehydrazide 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 (E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-(dimethylamino)indazol-3-yl]prop-2-enehydrazide?
The IUPAC name of (E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-(dimethylamino)indazol-3-yl]prop-2-enehydrazide (CID 68914103) is (E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-(dimethylamino)indazol-3-yl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-(dimethylamino)indazol-3-yl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-(dimethylamino)indazol-3-yl]prop-2-enehydrazide is CN(C)c1ccc2c(/C=C/C(=O)NN)nn(Cc3ccc(Cl)cc3Cl)c2c1.
What is the InChIKey of (E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-(dimethylamino)indazol-3-yl]prop-2-enehydrazide?
The InChIKey is JGNGGKXSTOZYQG-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H19Cl2N5O/c1-25(2)14-5-6-15-17(7-8-19(27)23-22)24-26(18(15)10-14)11-12-3-4-13(20)9-16(12)21/h3-10H,11,22H2,1-2H3,(H,23,27)/b8-7+.
What are the key properties of (E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-(dimethylamino)indazol-3-yl]prop-2-enehydrazide?
(E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-(dimethylamino)indazol-3-yl]prop-2-enehydrazide has a molecular weight of 404.30 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-[(2,4-dichlorophenyl)methyl]-6-(dimethylamino)indazol-3-yl]prop-2-enehydrazide is sourced from PubChem (CID 68914103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).