2-pyrazol-1-ylacetohydrazide

C5H8N4O — CID 17024596

IUPAC2-pyrazol-1-ylacetohydrazide
SMILESNNC(=O)Cn1cccn1
InChIInChI=1S/C5H8N4O/c6-8-5(10)4-9-3-1-2-7-9/h1-3H,4,6H2,(H,8,10)
InChIKeyNJBHEQPBKPVVCC-UHFFFAOYSA-N
MW140.15 g/mol
LogP-1.13
Rot. Bonds2

About 2-pyrazol-1-ylacetohydrazide

2-pyrazol-1-ylacetohydrazide (PubChem CID 17024596) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 2-pyrazol-1-ylacetohydrazide.

Molecular Properties

Compound Name2-pyrazol-1-ylacetohydrazide
PubChem CID17024596
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name2-pyrazol-1-ylacetohydrazide
SMILESNNC(=O)Cn1cccn1
InChIInChI=1S/C5H8N4O/c6-8-5(10)4-9-3-1-2-7-9/h1-3H,4,6H2,(H,8,10)
InChIKeyNJBHEQPBKPVVCC-UHFFFAOYSA-N
XLogP-1.13
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-1.13
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylacetohydrazide?
The IUPAC name of 2-pyrazol-1-ylacetohydrazide (CID 17024596) is 2-pyrazol-1-ylacetohydrazide.
What is the SMILES notation for 2-pyrazol-1-ylacetohydrazide?
The canonical SMILES for 2-pyrazol-1-ylacetohydrazide is NNC(=O)Cn1cccn1.
What is the InChIKey of 2-pyrazol-1-ylacetohydrazide?
The InChIKey is NJBHEQPBKPVVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c6-8-5(10)4-9-3-1-2-7-9/h1-3H,4,6H2,(H,8,10).
What are the key properties of 2-pyrazol-1-ylacetohydrazide?
2-pyrazol-1-ylacetohydrazide has a molecular weight of 140.15 g/mol, XLogP of -1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylacetohydrazide is sourced from PubChem (CID 17024596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).