3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N'-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbohydrazide

C17H11ClF5N5O — CID 55350423

IUPAC3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N'-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbohydrazide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NNc3c(F)c(F)c(F)c(F)c3F)n2)n1
InChIInChI=1S/C17H11ClF5N5O/c1-6-5-7(2)28(27-6)9-4-3-8(18)15(24-9)17(29)26-25-16-13(22)11(20)10(19)12(21)14(16)23/h3-5,25H,1-2H3,(H,26,29)
InChIKeyBTBTUZUEHCOYEG-UHFFFAOYSA-N
MW431.75 g/mol
LogP3.99
Rot. Bonds4

About 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N'-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbohydrazide

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N'-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbohydrazide (PubChem CID 55350423) has the molecular formula C17H11ClF5N5O and a molecular weight of 431.75 g/mol. Its IUPAC name is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N'-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbohydrazide.

Molecular Properties

Compound Name3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N'-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbohydrazide
PubChem CID55350423
Molecular FormulaC17H11ClF5N5O
Molecular Weight431.75 g/mol
Exact Mass431.06
IUPAC Name3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N'-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbohydrazide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NNc3c(F)c(F)c(F)c(F)c3F)n2)n1
InChIInChI=1S/C17H11ClF5N5O/c1-6-5-7(2)28(27-6)9-4-3-8(18)15(24-9)17(29)26-25-16-13(22)11(20)10(19)12(21)14(16)23/h3-5,25H,1-2H3,(H,26,29)
InChIKeyBTBTUZUEHCOYEG-UHFFFAOYSA-N
XLogP3.99
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.75
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N'-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbohydrazide?
The IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N'-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbohydrazide (CID 55350423) is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N'-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbohydrazide.
What is the SMILES notation for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N'-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbohydrazide?
The canonical SMILES for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N'-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbohydrazide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NNc3c(F)c(F)c(F)c(F)c3F)n2)n1.
What is the InChIKey of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N'-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbohydrazide?
The InChIKey is BTBTUZUEHCOYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF5N5O/c1-6-5-7(2)28(27-6)9-4-3-8(18)15(24-9)17(29)26-25-16-13(22)11(20)10(19)12(21)14(16)23/h3-5,25H,1-2H3,(H,26,29).
What are the key properties of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N'-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbohydrazide?
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N'-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbohydrazide has a molecular weight of 431.75 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N'-(2,3,4,5,6-pentafluorophenyl)pyridine-2-carbohydrazide is sourced from PubChem (CID 55350423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).