6-chloro-1-[(2,4-difluorophenyl)methyl]indazole-3-carbohydrazide

C15H11ClF2N4O — CID 11638599

IUPAC6-chloro-1-[(2,4-difluorophenyl)methyl]indazole-3-carbohydrazide
SMILESNNC(=O)c1nn(Cc2ccc(F)cc2F)c2cc(Cl)ccc12
InChIInChI=1S/C15H11ClF2N4O/c16-9-2-4-11-13(5-9)22(21-14(11)15(23)20-19)7-8-1-3-10(17)6-12(8)18/h1-6H,7,19H2,(H,20,23)
InChIKeyUFWZYKYFUOYRNW-UHFFFAOYSA-N
MW336.73 g/mol
LogP2.62
Rot. Bonds3

About 6-chloro-1-[(2,4-difluorophenyl)methyl]indazole-3-carbohydrazide

6-chloro-1-[(2,4-difluorophenyl)methyl]indazole-3-carbohydrazide (PubChem CID 11638599) has the molecular formula C15H11ClF2N4O and a molecular weight of 336.73 g/mol. Its IUPAC name is 6-chloro-1-[(2,4-difluorophenyl)methyl]indazole-3-carbohydrazide.

Molecular Properties

Compound Name6-chloro-1-[(2,4-difluorophenyl)methyl]indazole-3-carbohydrazide
PubChem CID11638599
Molecular FormulaC15H11ClF2N4O
Molecular Weight336.73 g/mol
Exact Mass336.06
IUPAC Name6-chloro-1-[(2,4-difluorophenyl)methyl]indazole-3-carbohydrazide
SMILESNNC(=O)c1nn(Cc2ccc(F)cc2F)c2cc(Cl)ccc12
InChIInChI=1S/C15H11ClF2N4O/c16-9-2-4-11-13(5-9)22(21-14(11)15(23)20-19)7-8-1-3-10(17)6-12(8)18/h1-6H,7,19H2,(H,20,23)
InChIKeyUFWZYKYFUOYRNW-UHFFFAOYSA-N
XLogP2.62
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 52.62
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-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carbohydrazide
CID 66889166
1-[(4-chloro-2-fluorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid
CID 66888571
1-[(2,4-difluorophenyl)methyl]-5-(trifluoromethyl)indazole-3-carbohydrazide
CID 11523569
1-[(4-chloro-2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carbohydrazide
CID 66889396
methyl 1-[(4-chloro-2-fluorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylate
CID 66888548
methyl 6-(difluoromethyl)-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxylate
CID 66887230
methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
CID 66887924
1-[(4-chloro-2-fluorophenyl)methyl]-6-methylsulfonylindazole-3-carboxylic acid
CID 91584953
methyl 6-amino-1-[(2-chloro-4-fluorophenyl)methyl]indazole-3-carboxylate
CID 69403138
3-[5-chloro-1-[(2,4-difluorophenyl)methyl]indazol-3-yl]prop-2-enoic acid
CID 66888344
3-[1-[(4-chloro-2-fluorophenyl)methyl]-6-(difluoromethyl)indazol-3-yl]prop-2-enehydrazide
CID 66900737
1-[(2-chloro-4-fluorophenyl)methyl]-6-(fluoromethyl)indazole-3-carboxylic acid
CID 66871881

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(2,4-difluorophenyl)methyl]indazole-3-carbohydrazide?
The IUPAC name of 6-chloro-1-[(2,4-difluorophenyl)methyl]indazole-3-carbohydrazide (CID 11638599) is 6-chloro-1-[(2,4-difluorophenyl)methyl]indazole-3-carbohydrazide.
What is the SMILES notation for 6-chloro-1-[(2,4-difluorophenyl)methyl]indazole-3-carbohydrazide?
The canonical SMILES for 6-chloro-1-[(2,4-difluorophenyl)methyl]indazole-3-carbohydrazide is NNC(=O)c1nn(Cc2ccc(F)cc2F)c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-1-[(2,4-difluorophenyl)methyl]indazole-3-carbohydrazide?
The InChIKey is UFWZYKYFUOYRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N4O/c16-9-2-4-11-13(5-9)22(21-14(11)15(23)20-19)7-8-1-3-10(17)6-12(8)18/h1-6H,7,19H2,(H,20,23).
What are the key properties of 6-chloro-1-[(2,4-difluorophenyl)methyl]indazole-3-carbohydrazide?
6-chloro-1-[(2,4-difluorophenyl)methyl]indazole-3-carbohydrazide has a molecular weight of 336.73 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(2,4-difluorophenyl)methyl]indazole-3-carbohydrazide is sourced from PubChem (CID 11638599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).