2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetohydrazide

C6H10N4O2 — CID 3727239

IUPAC2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetohydrazide
SMILESCC1=NNC(=O)C1CC(=O)NN
InChIInChI=1S/C6H10N4O2/c1-3-4(2-5(11)8-7)6(12)10-9-3/h4H,2,7H2,1H3,(H,8,11)(H,10,12)
InChIKeySPBOZWVKBVVFJU-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.51
Rot. Bonds2

About 2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetohydrazide

2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetohydrazide (PubChem CID 3727239) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetohydrazide.

Molecular Properties

Compound Name2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetohydrazide
PubChem CID3727239
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetohydrazide
SMILESCC1=NNC(=O)C1CC(=O)NN
InChIInChI=1S/C6H10N4O2/c1-3-4(2-5(11)8-7)6(12)10-9-3/h4H,2,7H2,1H3,(H,8,11)(H,10,12)
InChIKeySPBOZWVKBVVFJU-UHFFFAOYSA-N
XLogP-1.51
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
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-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetohydrazide?
The IUPAC name of 2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetohydrazide (CID 3727239) is 2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetohydrazide.
What is the SMILES notation for 2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetohydrazide?
The canonical SMILES for 2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetohydrazide is CC1=NNC(=O)C1CC(=O)NN.
What is the InChIKey of 2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetohydrazide?
The InChIKey is SPBOZWVKBVVFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-3-4(2-5(11)8-7)6(12)10-9-3/h4H,2,7H2,1H3,(H,8,11)(H,10,12).
What are the key properties of 2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetohydrazide?
2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetohydrazide has a molecular weight of 170.17 g/mol, XLogP of -1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetohydrazide is sourced from PubChem (CID 3727239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).