N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide

C22H17F3N4O — CID 71493279

IUPACN'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide
SMILESCc1cccc(-c2c(/C(N)=N/O)cc(C(F)(F)F)cc2-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C22H17F3N4O/c1-12-3-2-4-14(7-12)20-17(13-5-6-19-15(8-13)11-27-28-19)9-16(22(23,24)25)10-18(20)21(26)29-30/h2-11,30H,1H3,(H2,26,29)(H,27,28)
InChIKeyDFFVJSGWSZLYCS-UHFFFAOYSA-N
MW410.40 g/mol
LogP5.32
Rot. Bonds3

About N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide

N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 71493279) has the molecular formula C22H17F3N4O and a molecular weight of 410.40 g/mol. Its IUPAC name is N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID71493279
Molecular FormulaC22H17F3N4O
Molecular Weight410.40 g/mol
Exact Mass410.14
IUPAC NameN'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide
SMILESCc1cccc(-c2c(/C(N)=N/O)cc(C(F)(F)F)cc2-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C22H17F3N4O/c1-12-3-2-4-14(7-12)20-17(13-5-6-19-15(8-13)11-27-28-19)9-16(22(23,24)25)10-18(20)21(26)29-30/h2-11,30H,1H3,(H2,26,29)(H,27,28)
InChIKeyDFFVJSGWSZLYCS-UHFFFAOYSA-N
XLogP5.32
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide 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 N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide (CID 71493279) is N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide is Cc1cccc(-c2c(/C(N)=N/O)cc(C(F)(F)F)cc2-c2ccc3[nH]ncc3c2)c1.
What is the InChIKey of N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is DFFVJSGWSZLYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O/c1-12-3-2-4-14(7-12)20-17(13-5-6-19-15(8-13)11-27-28-19)9-16(22(23,24)25)10-18(20)21(26)29-30/h2-11,30H,1H3,(H2,26,29)(H,27,28).
What are the key properties of N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide?
N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 410.40 g/mol, XLogP of 5.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 71493279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).