2-methyl-5-oxo-1H-pyrazole-3-carbohydrazide

C5H8N4O2 — CID 2818541

IUPAC2-methyl-5-oxo-1H-pyrazole-3-carbohydrazide
SMILESCn1[nH]c(=O)cc1C(=O)NN
InChIInChI=1S/C5H8N4O2/c1-9-3(5(11)7-6)2-4(10)8-9/h2H,6H2,1H3,(H,7,11)(H,8,10)
InChIKeyVUPZUFCFYRSPJZ-UHFFFAOYSA-N
MW156.14 g/mol
LogP-1.68
Rot. Bonds1

About 2-methyl-5-oxo-1H-pyrazole-3-carbohydrazide

2-methyl-5-oxo-1H-pyrazole-3-carbohydrazide (PubChem CID 2818541) has the molecular formula C5H8N4O2 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-methyl-5-oxo-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-5-oxo-1H-pyrazole-3-carbohydrazide
PubChem CID2818541
Molecular FormulaC5H8N4O2
Molecular Weight156.14 g/mol
Exact Mass156.06
IUPAC Name2-methyl-5-oxo-1H-pyrazole-3-carbohydrazide
SMILESCn1[nH]c(=O)cc1C(=O)NN
InChIInChI=1S/C5H8N4O2/c1-9-3(5(11)7-6)2-4(10)8-9/h2H,6H2,1H3,(H,7,11)(H,8,10)
InChIKeyVUPZUFCFYRSPJZ-UHFFFAOYSA-N
XLogP-1.68
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-1.68
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-methyl-5-oxo-1H-pyrazole-3-carbohydrazide?
The IUPAC name of 2-methyl-5-oxo-1H-pyrazole-3-carbohydrazide (CID 2818541) is 2-methyl-5-oxo-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for 2-methyl-5-oxo-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for 2-methyl-5-oxo-1H-pyrazole-3-carbohydrazide is Cn1[nH]c(=O)cc1C(=O)NN.
What is the InChIKey of 2-methyl-5-oxo-1H-pyrazole-3-carbohydrazide?
The InChIKey is VUPZUFCFYRSPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-9-3(5(11)7-6)2-4(10)8-9/h2H,6H2,1H3,(H,7,11)(H,8,10).
What are the key properties of 2-methyl-5-oxo-1H-pyrazole-3-carbohydrazide?
2-methyl-5-oxo-1H-pyrazole-3-carbohydrazide has a molecular weight of 156.14 g/mol, XLogP of -1.68, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxo-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 2818541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).