4-bromo-N'-[2-(4-chlorophenyl)acetyl]-1-methylpyrazole-3-carbohydrazide

C13H12BrClN4O2 — CID 1144234

IUPAC4-bromo-N'-[2-(4-chlorophenyl)acetyl]-1-methylpyrazole-3-carbohydrazide
SMILESCn1cc(Br)c(C(=O)NNC(=O)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H12BrClN4O2/c1-19-7-10(14)12(18-19)13(21)17-16-11(20)6-8-2-4-9(15)5-3-8/h2-5,7H,6H2,1H3,(H,16,20)(H,17,21)
InChIKeyPPVKBOCYBDEUSC-UHFFFAOYSA-N
MW371.62 g/mol
LogP1.84
Rot. Bonds3

About 4-bromo-N'-[2-(4-chlorophenyl)acetyl]-1-methylpyrazole-3-carbohydrazide

4-bromo-N'-[2-(4-chlorophenyl)acetyl]-1-methylpyrazole-3-carbohydrazide (PubChem CID 1144234) has the molecular formula C13H12BrClN4O2 and a molecular weight of 371.62 g/mol. Its IUPAC name is 4-bromo-N'-[2-(4-chlorophenyl)acetyl]-1-methylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[2-(4-chlorophenyl)acetyl]-1-methylpyrazole-3-carbohydrazide
PubChem CID1144234
Molecular FormulaC13H12BrClN4O2
Molecular Weight371.62 g/mol
Exact Mass369.98
IUPAC Name4-bromo-N'-[2-(4-chlorophenyl)acetyl]-1-methylpyrazole-3-carbohydrazide
SMILESCn1cc(Br)c(C(=O)NNC(=O)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H12BrClN4O2/c1-19-7-10(14)12(18-19)13(21)17-16-11(20)6-8-2-4-9(15)5-3-8/h2-5,7H,6H2,1H3,(H,16,20)(H,17,21)
InChIKeyPPVKBOCYBDEUSC-UHFFFAOYSA-N
XLogP1.84
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.62
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-bromo-N'-[2-(4-chlorophenyl)acetyl]-1-methylpyrazole-3-carbohydrazide?
The IUPAC name of 4-bromo-N'-[2-(4-chlorophenyl)acetyl]-1-methylpyrazole-3-carbohydrazide (CID 1144234) is 4-bromo-N'-[2-(4-chlorophenyl)acetyl]-1-methylpyrazole-3-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-[2-(4-chlorophenyl)acetyl]-1-methylpyrazole-3-carbohydrazide?
The canonical SMILES for 4-bromo-N'-[2-(4-chlorophenyl)acetyl]-1-methylpyrazole-3-carbohydrazide is Cn1cc(Br)c(C(=O)NNC(=O)Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-bromo-N'-[2-(4-chlorophenyl)acetyl]-1-methylpyrazole-3-carbohydrazide?
The InChIKey is PPVKBOCYBDEUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN4O2/c1-19-7-10(14)12(18-19)13(21)17-16-11(20)6-8-2-4-9(15)5-3-8/h2-5,7H,6H2,1H3,(H,16,20)(H,17,21).
What are the key properties of 4-bromo-N'-[2-(4-chlorophenyl)acetyl]-1-methylpyrazole-3-carbohydrazide?
4-bromo-N'-[2-(4-chlorophenyl)acetyl]-1-methylpyrazole-3-carbohydrazide has a molecular weight of 371.62 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[2-(4-chlorophenyl)acetyl]-1-methylpyrazole-3-carbohydrazide is sourced from PubChem (CID 1144234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).