5-bromo-1H-pyrazole-3-carbohydrazide

C4H5BrN4O — CID 178158311

IUPAC5-bromo-1H-pyrazole-3-carbohydrazide
SMILESNNC(=O)c1cc(Br)[nH]n1
InChIInChI=1S/C4H5BrN4O/c5-3-1-2(8-9-3)4(10)7-6/h1H,6H2,(H,7,10)(H,8,9)
InChIKeyZWWADJRAYHYQAQ-UHFFFAOYSA-N
MW205.01 g/mol
LogP-0.22
Rot. Bonds1

About 5-bromo-1H-pyrazole-3-carbohydrazide

5-bromo-1H-pyrazole-3-carbohydrazide (PubChem CID 178158311) has the molecular formula C4H5BrN4O and a molecular weight of 205.01 g/mol. Its IUPAC name is 5-bromo-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name5-bromo-1H-pyrazole-3-carbohydrazide
PubChem CID178158311
Molecular FormulaC4H5BrN4O
Molecular Weight205.01 g/mol
Exact Mass203.96
IUPAC Name5-bromo-1H-pyrazole-3-carbohydrazide
SMILESNNC(=O)c1cc(Br)[nH]n1
InChIInChI=1S/C4H5BrN4O/c5-3-1-2(8-9-3)4(10)7-6/h1H,6H2,(H,7,10)(H,8,9)
InChIKeyZWWADJRAYHYQAQ-UHFFFAOYSA-N
XLogP-0.22
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.01
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

5-Bromo-2H-pyrazole-3-carboxylic acid methylamide
CID 76963830
3-amino-1H-pyrazole-5-carbohydrazide
CID 167716979
5-Fluoro-1H-pyrazole-3-carboxamide
CID 134398214
5-fluoro-1H-pyrazole-3-carbohydrazide
CID 176328798
5-Bromo-1H-pyrazole-3-carbaldehyde
CID 53423830
5-Iodo-1H-pyrazole-3-carboxamide
CID 90030787
5-Bromo-1H-pyrazole-3-carboxamide
CID 92134046
5-bromo-N-oxo-1H-pyrazole-3-carboxamide
CID 130380458
5-bromo-N,N-dimethyl-1H-pyrazole-3-carboxamide
CID 130842150
5-bromo-1H-pyrazole-3-carbaldehyde;methoxymethane
CID 153559655
5-Iodo-1H-pyrazole-3-carbohydrazide
CID 163203464
5-bromo-1H-pyrazole-3-carbonyl chloride
CID 174757210

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrazole-3-carbohydrazide?
The IUPAC name of 5-bromo-1H-pyrazole-3-carbohydrazide (CID 178158311) is 5-bromo-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for 5-bromo-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for 5-bromo-1H-pyrazole-3-carbohydrazide is NNC(=O)c1cc(Br)[nH]n1.
What is the InChIKey of 5-bromo-1H-pyrazole-3-carbohydrazide?
The InChIKey is ZWWADJRAYHYQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN4O/c5-3-1-2(8-9-3)4(10)7-6/h1H,6H2,(H,7,10)(H,8,9).
What are the key properties of 5-bromo-1H-pyrazole-3-carbohydrazide?
5-bromo-1H-pyrazole-3-carbohydrazide has a molecular weight of 205.01 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 178158311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).