1-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carbohydrazide

C16H11ClF4N4O — CID 66889166

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carbohydrazide
SMILESNNC(=O)c1nn(Cc2ccc(Cl)cc2F)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C16H11ClF4N4O/c17-10-3-1-8(12(18)6-10)7-25-13-5-9(16(19,20)21)2-4-11(13)14(24-25)15(26)23-22/h1-6H,7,22H2,(H,23,26)
InChIKeyOGIUTSSOEWZXII-UHFFFAOYSA-N
MW386.74 g/mol
LogP3.50
Rot. Bonds3

About 1-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carbohydrazide

1-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carbohydrazide (PubChem CID 66889166) has the molecular formula C16H11ClF4N4O and a molecular weight of 386.74 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carbohydrazide.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carbohydrazide
PubChem CID66889166
Molecular FormulaC16H11ClF4N4O
Molecular Weight386.74 g/mol
Exact Mass386.06
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carbohydrazide
SMILESNNC(=O)c1nn(Cc2ccc(Cl)cc2F)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C16H11ClF4N4O/c17-10-3-1-8(12(18)6-10)7-25-13-5-9(16(19,20)21)2-4-11(13)14(24-25)15(26)23-22/h1-6H,7,22H2,(H,23,26)
InChIKeyOGIUTSSOEWZXII-UHFFFAOYSA-N
XLogP3.50
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.74
LogP ≤ 53.50
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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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carbohydrazide?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carbohydrazide (CID 66889166) is 1-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carbohydrazide.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carbohydrazide?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carbohydrazide is NNC(=O)c1nn(Cc2ccc(Cl)cc2F)c2cc(C(F)(F)F)ccc12.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carbohydrazide?
The InChIKey is OGIUTSSOEWZXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF4N4O/c17-10-3-1-8(12(18)6-10)7-25-13-5-9(16(19,20)21)2-4-11(13)14(24-25)15(26)23-22/h1-6H,7,22H2,(H,23,26).
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carbohydrazide?
1-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carbohydrazide has a molecular weight of 386.74 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carbohydrazide is sourced from PubChem (CID 66889166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).