N'-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]pyridine-2-carbohydrazide

C18H16BrN5O2 — CID 55617066

IUPACN'-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]pyridine-2-carbohydrazide
SMILESCc1nn(-c2ccc(C(=O)NNC(=O)c3ccccn3)cc2)c(C)c1Br
InChIInChI=1S/C18H16BrN5O2/c1-11-16(19)12(2)24(23-11)14-8-6-13(7-9-14)17(25)21-22-18(26)15-5-3-4-10-20-15/h3-10H,1-2H3,(H,21,25)(H,22,26)
InChIKeyVVDDZCVRNWZOJR-UHFFFAOYSA-N
MW414.26 g/mol
LogP2.72
Rot. Bonds3

About N'-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]pyridine-2-carbohydrazide

N'-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]pyridine-2-carbohydrazide (PubChem CID 55617066) has the molecular formula C18H16BrN5O2 and a molecular weight of 414.26 g/mol. Its IUPAC name is N'-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]pyridine-2-carbohydrazide
PubChem CID55617066
Molecular FormulaC18H16BrN5O2
Molecular Weight414.26 g/mol
Exact Mass413.05
IUPAC NameN'-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]pyridine-2-carbohydrazide
SMILESCc1nn(-c2ccc(C(=O)NNC(=O)c3ccccn3)cc2)c(C)c1Br
InChIInChI=1S/C18H16BrN5O2/c1-11-16(19)12(2)24(23-11)14-8-6-13(7-9-14)17(25)21-22-18(26)15-5-3-4-10-20-15/h3-10H,1-2H3,(H,21,25)(H,22,26)
InChIKeyVVDDZCVRNWZOJR-UHFFFAOYSA-N
XLogP2.72
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.26
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]pyridine-2-carbohydrazide (CID 55617066) is N'-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]pyridine-2-carbohydrazide is Cc1nn(-c2ccc(C(=O)NNC(=O)c3ccccn3)cc2)c(C)c1Br.
What is the InChIKey of N'-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]pyridine-2-carbohydrazide?
The InChIKey is VVDDZCVRNWZOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5O2/c1-11-16(19)12(2)24(23-11)14-8-6-13(7-9-14)17(25)21-22-18(26)15-5-3-4-10-20-15/h3-10H,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N'-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]pyridine-2-carbohydrazide?
N'-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]pyridine-2-carbohydrazide has a molecular weight of 414.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 55617066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).