5-methyl-1H-pyrazole-4-carbohydrazide

C5H8N4O — CID 50987772

IUPAC5-methyl-1H-pyrazole-4-carbohydrazide
SMILESCc1[nH]ncc1C(=O)NN
InChIInChI=1S/C5H8N4O/c1-3-4(2-7-9-3)5(10)8-6/h2H,6H2,1H3,(H,7,9)(H,8,10)
InChIKeyBLLVNROXXUHSJV-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.68
Rot. Bonds1

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

5-methyl-1H-pyrazole-4-carbohydrazide (PubChem CID 50987772) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 5-methyl-1H-pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-methyl-1H-pyrazole-4-carbohydrazide
PubChem CID50987772
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name5-methyl-1H-pyrazole-4-carbohydrazide
SMILESCc1[nH]ncc1C(=O)NN
InChIInChI=1S/C5H8N4O/c1-3-4(2-7-9-3)5(10)8-6/h2H,6H2,1H3,(H,7,9)(H,8,10)
InChIKeyBLLVNROXXUHSJV-UHFFFAOYSA-N
XLogP-0.68
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.68
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 5-methyl-1H-pyrazole-4-carbohydrazide?
The IUPAC name of 5-methyl-1H-pyrazole-4-carbohydrazide (CID 50987772) is 5-methyl-1H-pyrazole-4-carbohydrazide.
What is the SMILES notation for 5-methyl-1H-pyrazole-4-carbohydrazide?
The canonical SMILES for 5-methyl-1H-pyrazole-4-carbohydrazide is Cc1[nH]ncc1C(=O)NN.
What is the InChIKey of 5-methyl-1H-pyrazole-4-carbohydrazide?
The InChIKey is BLLVNROXXUHSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-3-4(2-7-9-3)5(10)8-6/h2H,6H2,1H3,(H,7,9)(H,8,10).
What are the key properties of 5-methyl-1H-pyrazole-4-carbohydrazide?
5-methyl-1H-pyrazole-4-carbohydrazide has a molecular weight of 140.15 g/mol, XLogP of -0.68, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrazole-4-carbohydrazide is sourced from PubChem (CID 50987772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).