4-bromo-1,5-dimethylpyrazole-3-carbohydrazide

C6H9BrN4O — CID 4170793

IUPAC4-bromo-1,5-dimethylpyrazole-3-carbohydrazide
SMILESCc1c(Br)c(C(=O)NN)nn1C
InChIInChI=1S/C6H9BrN4O/c1-3-4(7)5(6(12)9-8)10-11(3)2/h8H2,1-2H3,(H,9,12)
InChIKeyAIYMAGGVVDUYGX-UHFFFAOYSA-N
MW233.07 g/mol
LogP0.09
Rot. Bonds1

About 4-bromo-1,5-dimethylpyrazole-3-carbohydrazide

4-bromo-1,5-dimethylpyrazole-3-carbohydrazide (PubChem CID 4170793) has the molecular formula C6H9BrN4O and a molecular weight of 233.07 g/mol. Its IUPAC name is 4-bromo-1,5-dimethylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-bromo-1,5-dimethylpyrazole-3-carbohydrazide
PubChem CID4170793
Molecular FormulaC6H9BrN4O
Molecular Weight233.07 g/mol
Exact Mass232.00
IUPAC Name4-bromo-1,5-dimethylpyrazole-3-carbohydrazide
SMILESCc1c(Br)c(C(=O)NN)nn1C
InChIInChI=1S/C6H9BrN4O/c1-3-4(7)5(6(12)9-8)10-11(3)2/h8H2,1-2H3,(H,9,12)
InChIKeyAIYMAGGVVDUYGX-UHFFFAOYSA-N
XLogP0.09
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.07
LogP ≤ 50.09
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'}

Analyze 4-bromo-1,5-dimethylpyrazole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetohydrazide
CID 604525
4-Chloro-1,3-dimethyl-1H-pyrazole-5-carbohydrazide
CID 593923
4-bromo-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 843437
1,5-dimethyl-1H-pyrazole-3-carbohydrazide
CID 2743273
4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbohydrazide
CID 7018468
4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide
CID 7019432
4-Bromo-1-methyl-3-propyl-1H-pyrazole-5-carboxamide
CID 11601224
4-bromo-1,5-dimethyl-N,N-di(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 4768378
4-bromo-N-tert-butyl-1,3-dimethylpyrazole-5-carboxamide
CID 15766811
4-bromo-1,5-dimethyl-N-(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 19578021
4-Bromo-2-(2,2-difluoroethyl)-5-methylpyrazole-3-carboxamide
CID 89816407
1,3-Dimethyl-1H-pyrazole-5-carbohydrazide
CID 4173891

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,5-dimethylpyrazole-3-carbohydrazide?
The IUPAC name of 4-bromo-1,5-dimethylpyrazole-3-carbohydrazide (CID 4170793) is 4-bromo-1,5-dimethylpyrazole-3-carbohydrazide.
What is the SMILES notation for 4-bromo-1,5-dimethylpyrazole-3-carbohydrazide?
The canonical SMILES for 4-bromo-1,5-dimethylpyrazole-3-carbohydrazide is Cc1c(Br)c(C(=O)NN)nn1C.
What is the InChIKey of 4-bromo-1,5-dimethylpyrazole-3-carbohydrazide?
The InChIKey is AIYMAGGVVDUYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN4O/c1-3-4(7)5(6(12)9-8)10-11(3)2/h8H2,1-2H3,(H,9,12).
What are the key properties of 4-bromo-1,5-dimethylpyrazole-3-carbohydrazide?
4-bromo-1,5-dimethylpyrazole-3-carbohydrazide has a molecular weight of 233.07 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,5-dimethylpyrazole-3-carbohydrazide is sourced from PubChem (CID 4170793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).