(E)-3-hydroxy-N-[5-methyl-1-(3-methylphenyl)indazol-6-yl]prop-2-enamide;methanethiol

C19H21N3O2S — CID 155713771

IUPAC(E)-3-hydroxy-N-[5-methyl-1-(3-methylphenyl)indazol-6-yl]prop-2-enamide;methanethiol
SMILESCS.Cc1cccc(-n2ncc3cc(C)c(NC(=O)/C=C/O)cc32)c1
InChIInChI=1S/C18H17N3O2.CH4S/c1-12-4-3-5-15(8-12)21-17-10-16(20-18(23)6-7-22)13(2)9-14(17)11-19-21;1-2/h3-11,22H,1-2H3,(H,20,23);2H,1H3/b7-6+;
InChIKeyYPJBQYQZRJEASY-UHDJGPCESA-N
MW355.46 g/mol
LogP4.20
Rot. Bonds3

About (E)-3-hydroxy-N-[5-methyl-1-(3-methylphenyl)indazol-6-yl]prop-2-enamide;methanethiol

(E)-3-hydroxy-N-[5-methyl-1-(3-methylphenyl)indazol-6-yl]prop-2-enamide;methanethiol (PubChem CID 155713771) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is (E)-3-hydroxy-N-[5-methyl-1-(3-methylphenyl)indazol-6-yl]prop-2-enamide;methanethiol.

Molecular Properties

Compound Name(E)-3-hydroxy-N-[5-methyl-1-(3-methylphenyl)indazol-6-yl]prop-2-enamide;methanethiol
PubChem CID155713771
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name(E)-3-hydroxy-N-[5-methyl-1-(3-methylphenyl)indazol-6-yl]prop-2-enamide;methanethiol
SMILESCS.Cc1cccc(-n2ncc3cc(C)c(NC(=O)/C=C/O)cc32)c1
InChIInChI=1S/C18H17N3O2.CH4S/c1-12-4-3-5-15(8-12)21-17-10-16(20-18(23)6-7-22)13(2)9-14(17)11-19-21;1-2/h3-11,22H,1-2H3,(H,20,23);2H,1H3/b7-6+;
InChIKeyYPJBQYQZRJEASY-UHDJGPCESA-N
XLogP4.20
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (E)-3-hydroxy-N-[5-methyl-1-(3-methylphenyl)indazol-6-yl]prop-2-enamide;methanethiol 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-hydroxy-N-[5-methyl-1-(3-methylphenyl)indazol-6-yl]prop-2-enamide;methanethiol?
The IUPAC name of (E)-3-hydroxy-N-[5-methyl-1-(3-methylphenyl)indazol-6-yl]prop-2-enamide;methanethiol (CID 155713771) is (E)-3-hydroxy-N-[5-methyl-1-(3-methylphenyl)indazol-6-yl]prop-2-enamide;methanethiol.
What is the SMILES notation for (E)-3-hydroxy-N-[5-methyl-1-(3-methylphenyl)indazol-6-yl]prop-2-enamide;methanethiol?
The canonical SMILES for (E)-3-hydroxy-N-[5-methyl-1-(3-methylphenyl)indazol-6-yl]prop-2-enamide;methanethiol is CS.Cc1cccc(-n2ncc3cc(C)c(NC(=O)/C=C/O)cc32)c1.
What is the InChIKey of (E)-3-hydroxy-N-[5-methyl-1-(3-methylphenyl)indazol-6-yl]prop-2-enamide;methanethiol?
The InChIKey is YPJBQYQZRJEASY-UHDJGPCESA-N. The full InChI is InChI=1S/C18H17N3O2.CH4S/c1-12-4-3-5-15(8-12)21-17-10-16(20-18(23)6-7-22)13(2)9-14(17)11-19-21;1-2/h3-11,22H,1-2H3,(H,20,23);2H,1H3/b7-6+;.
What are the key properties of (E)-3-hydroxy-N-[5-methyl-1-(3-methylphenyl)indazol-6-yl]prop-2-enamide;methanethiol?
(E)-3-hydroxy-N-[5-methyl-1-(3-methylphenyl)indazol-6-yl]prop-2-enamide;methanethiol has a molecular weight of 355.46 g/mol, XLogP of 4.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-N-[5-methyl-1-(3-methylphenyl)indazol-6-yl]prop-2-enamide;methanethiol is sourced from PubChem (CID 155713771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).