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

C17H16Cl2N4O — CID 162374177

IUPAC3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]propanehydrazide
SMILESNNC(=O)CCc1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C17H16Cl2N4O/c18-12-6-5-11(14(19)9-12)10-23-16-4-2-1-3-13(16)15(22-23)7-8-17(24)21-20/h1-6,9H,7-8,10,20H2,(H,21,24)
InChIKeyHPJXBRYZMNPPGQ-UHFFFAOYSA-N
MW363.25 g/mol
LogP3.31
Rot. Bonds5

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

3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]propanehydrazide (PubChem CID 162374177) has the molecular formula C17H16Cl2N4O and a molecular weight of 363.25 g/mol. Its IUPAC name is 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]propanehydrazide.

Molecular Properties

Compound Name3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]propanehydrazide
PubChem CID162374177
Molecular FormulaC17H16Cl2N4O
Molecular Weight363.25 g/mol
Exact Mass362.07
IUPAC Name3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]propanehydrazide
SMILESNNC(=O)CCc1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C17H16Cl2N4O/c18-12-6-5-11(14(19)9-12)10-23-16-4-2-1-3-13(16)15(22-23)7-8-17(24)21-20/h1-6,9H,7-8,10,20H2,(H,21,24)
InChIKeyHPJXBRYZMNPPGQ-UHFFFAOYSA-N
XLogP3.31
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 53.31
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

1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide
CID 11537039
3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]benzohydrazide
CID 162374180
1-[(2,4-dichlorophenyl)methyl]indazole-3-carbaldehyde;[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]methanol;methane
CID 159406876
2-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoic acid
CID 67610724
3-[1-[(2,4-dichlorophenyl)methyl]-6-(difluoromethyl)indazol-3-yl]propanoic acid
CID 11704004
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
1-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]nonan-1-one;hydrobromide
CID 160720537
1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid
CID 22387827
azane;1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;dichloroplatinum(2+);bis(hexanoate)
CID 53255360
[5-[[1-[(2,4-dichlorophenyl)methyl]indazole-3-carbonyl]amino]-3-methylpentyl]-triphenylphosphanium bromide
CID 162305899
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
CID 19337105

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]propanehydrazide?
The IUPAC name of 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]propanehydrazide (CID 162374177) is 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]propanehydrazide.
What is the SMILES notation for 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]propanehydrazide?
The canonical SMILES for 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]propanehydrazide is NNC(=O)CCc1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]propanehydrazide?
The InChIKey is HPJXBRYZMNPPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O/c18-12-6-5-11(14(19)9-12)10-23-16-4-2-1-3-13(16)15(22-23)7-8-17(24)21-20/h1-6,9H,7-8,10,20H2,(H,21,24).
What are the key properties of 3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]propanehydrazide?
3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]propanehydrazide has a molecular weight of 363.25 g/mol, XLogP of 3.31, 5 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]propanehydrazide is sourced from PubChem (CID 162374177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).