3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]benzohydrazide

C21H16Cl2N4O — CID 162374180

IUPAC3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]benzohydrazide
SMILESNNC(=O)c1cccc(-c2nn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1
InChIInChI=1S/C21H16Cl2N4O/c22-16-9-8-15(18(23)11-16)12-27-19-7-2-1-6-17(19)20(26-27)13-4-3-5-14(10-13)21(28)25-24/h1-11H,12,24H2,(H,25,28)
InChIKeySGSKXRKTMKULFC-UHFFFAOYSA-N
MW411.29 g/mol
LogP4.66
Rot. Bonds4

About 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]benzohydrazide

3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]benzohydrazide (PubChem CID 162374180) has the molecular formula C21H16Cl2N4O and a molecular weight of 411.29 g/mol. Its IUPAC name is 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]benzohydrazide.

Molecular Properties

Compound Name3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]benzohydrazide
PubChem CID162374180
Molecular FormulaC21H16Cl2N4O
Molecular Weight411.29 g/mol
Exact Mass410.07
IUPAC Name3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]benzohydrazide
SMILESNNC(=O)c1cccc(-c2nn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1
InChIInChI=1S/C21H16Cl2N4O/c22-16-9-8-15(18(23)11-16)12-27-19-7-2-1-6-17(19)20(26-27)13-4-3-5-14(10-13)21(28)25-24/h1-11H,12,24H2,(H,25,28)
InChIKeySGSKXRKTMKULFC-UHFFFAOYSA-N
XLogP4.66
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]propanehydrazide
CID 162374177
1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide
CID 11537039
2-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoic acid
CID 67610724
1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)indazole-3-carboxamide
CID 11704695
methyl 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoate
CID 76717745
N-[(1-cyanopyrrolidin-3-yl)methyl]-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide
CID 129247222
1-[(2,4-dichlorophenyl)methyl]-N-[(2S,4S)-1-hydroxy-4-methylhexan-2-yl]indazole-3-carboxamide
CID 146222514
1-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]nonan-1-one;hydrobromide
CID 160720537
1-[(2,4-dichlorophenyl)methyl]indazole-3-carbaldehyde;[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]methanol;methane
CID 159406876
[5-[[1-[(2,4-dichlorophenyl)methyl]indazole-3-carbonyl]amino]-3-methylpentyl]-triphenylphosphanium bromide
CID 162305899
1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-b]pyrazine-3-carbohydrazide
CID 68913507
N-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide
CID 163384535

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]benzohydrazide?
The IUPAC name of 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]benzohydrazide (CID 162374180) is 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]benzohydrazide.
What is the SMILES notation for 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]benzohydrazide?
The canonical SMILES for 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]benzohydrazide is NNC(=O)c1cccc(-c2nn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1.
What is the InChIKey of 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]benzohydrazide?
The InChIKey is SGSKXRKTMKULFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O/c22-16-9-8-15(18(23)11-16)12-27-19-7-2-1-6-17(19)20(26-27)13-4-3-5-14(10-13)21(28)25-24/h1-11H,12,24H2,(H,25,28).
What are the key properties of 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]benzohydrazide?
3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]benzohydrazide has a molecular weight of 411.29 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]benzohydrazide is sourced from PubChem (CID 162374180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).