3-bromo-1-methylpyrazole-5-carbohydrazide

C5H7BrN4O — CID 163384303

IUPAC3-bromo-1-methylpyrazole-5-carbohydrazide
SMILESCn1nc(Br)cc1C(=O)NN
InChIInChI=1S/C5H7BrN4O/c1-10-3(5(11)8-7)2-4(6)9-10/h2H,7H2,1H3,(H,8,11)
InChIKeyFLZRYDQIXWBNTJ-UHFFFAOYSA-N
MW219.04 g/mol
LogP-0.21
Rot. Bonds1

About 3-bromo-1-methylpyrazole-5-carbohydrazide

3-bromo-1-methylpyrazole-5-carbohydrazide (PubChem CID 163384303) has the molecular formula C5H7BrN4O and a molecular weight of 219.04 g/mol. Its IUPAC name is 3-bromo-1-methylpyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-bromo-1-methylpyrazole-5-carbohydrazide
PubChem CID163384303
Molecular FormulaC5H7BrN4O
Molecular Weight219.04 g/mol
Exact Mass217.98
IUPAC Name3-bromo-1-methylpyrazole-5-carbohydrazide
SMILESCn1nc(Br)cc1C(=O)NN
InChIInChI=1S/C5H7BrN4O/c1-10-3(5(11)8-7)2-4(6)9-10/h2H,7H2,1H3,(H,8,11)
InChIKeyFLZRYDQIXWBNTJ-UHFFFAOYSA-N
XLogP-0.21
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 5-0.21
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 3-bromo-1-methylpyrazole-5-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

5-Bromo-2H-pyrazole-3-carboxylic acid methylamide
CID 76963830
2-bromo-4H,5H-pyrazolo(1,5-a)pyrazin-4-one
CID 153945182
4-bromo-1-methyl-1H-pyrazole-5-carbohydrazide
CID 1273244
1-methyl-1H-pyrazole-5-carbohydrazide
CID 7020600
1,3-Dimethyl-1H-pyrazole-5-carbohydrazide
CID 4173891
3-bromo-N-(2-fluoroethyl)-1-methylpyrazole-5-carboxamide
CID 130658705
1-ethyl-1H-pyrazole-5-carbohydrazide
CID 7021007
3-Chloro-1-methylpyrazole-5-carbohydrazide
CID 17794457
5-Bromo-1-methyl-1H-pyrazole-3-carboxamide
CID 89997039
N',2-dimethylpyrazole-3-carbohydrazide
CID 126971813
3-bromo-N,1-dimethylpyrazole-5-carboxamide
CID 130611981
3-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 130679929

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methylpyrazole-5-carbohydrazide?
The IUPAC name of 3-bromo-1-methylpyrazole-5-carbohydrazide (CID 163384303) is 3-bromo-1-methylpyrazole-5-carbohydrazide.
What is the SMILES notation for 3-bromo-1-methylpyrazole-5-carbohydrazide?
The canonical SMILES for 3-bromo-1-methylpyrazole-5-carbohydrazide is Cn1nc(Br)cc1C(=O)NN.
What is the InChIKey of 3-bromo-1-methylpyrazole-5-carbohydrazide?
The InChIKey is FLZRYDQIXWBNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN4O/c1-10-3(5(11)8-7)2-4(6)9-10/h2H,7H2,1H3,(H,8,11).
What are the key properties of 3-bromo-1-methylpyrazole-5-carbohydrazide?
3-bromo-1-methylpyrazole-5-carbohydrazide has a molecular weight of 219.04 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methylpyrazole-5-carbohydrazide is sourced from PubChem (CID 163384303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).