4-bromo-1H-pyrazole-5-carbohydrazide

C4H5BrN4O — CID 7147493

IUPAC4-bromo-1H-pyrazole-5-carbohydrazide
SMILESNNC(=O)c1[nH]ncc1Br
InChIInChI=1S/C4H5BrN4O/c5-2-1-7-9-3(2)4(10)8-6/h1H,6H2,(H,7,9)(H,8,10)
InChIKeyNXJOKWGPTXRZCB-UHFFFAOYSA-N
MW205.01 g/mol
LogP-0.22
Rot. Bonds1

About 4-bromo-1H-pyrazole-5-carbohydrazide

4-bromo-1H-pyrazole-5-carbohydrazide (PubChem CID 7147493) has the molecular formula C4H5BrN4O and a molecular weight of 205.01 g/mol. Its IUPAC name is 4-bromo-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name4-bromo-1H-pyrazole-5-carbohydrazide
PubChem CID7147493
Molecular FormulaC4H5BrN4O
Molecular Weight205.01 g/mol
Exact Mass203.96
IUPAC Name4-bromo-1H-pyrazole-5-carbohydrazide
SMILESNNC(=O)c1[nH]ncc1Br
InChIInChI=1S/C4H5BrN4O/c5-2-1-7-9-3(2)4(10)8-6/h1H,6H2,(H,7,9)(H,8,10)
InChIKeyNXJOKWGPTXRZCB-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 4-bromo-1H-pyrazole-5-carbohydrazide (CID 7147493) is 4-bromo-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 4-bromo-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 4-bromo-1H-pyrazole-5-carbohydrazide is NNC(=O)c1[nH]ncc1Br.
What is the InChIKey of 4-bromo-1H-pyrazole-5-carbohydrazide?
The InChIKey is NXJOKWGPTXRZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN4O/c5-2-1-7-9-3(2)4(10)8-6/h1H,6H2,(H,7,9)(H,8,10).
What are the key properties of 4-bromo-1H-pyrazole-5-carbohydrazide?
4-bromo-1H-pyrazole-5-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 4-bromo-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 7147493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).