1-methylpyrazole-3-carbohydrazide

C5H8N4O — CID 955611

IUPAC1-methylpyrazole-3-carbohydrazide
SMILESCn1ccc(C(=O)NN)n1
InChIInChI=1S/C5H8N4O/c1-9-3-2-4(8-9)5(10)7-6/h2-3H,6H2,1H3,(H,7,10)
InChIKeyVHRVJYZZWNADNS-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.98
Rot. Bonds1

About 1-methylpyrazole-3-carbohydrazide

1-methylpyrazole-3-carbohydrazide (PubChem CID 955611) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 1-methylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-methylpyrazole-3-carbohydrazide
PubChem CID955611
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name1-methylpyrazole-3-carbohydrazide
SMILESCn1ccc(C(=O)NN)n1
InChIInChI=1S/C5H8N4O/c1-9-3-2-4(8-9)5(10)7-6/h2-3H,6H2,1H3,(H,7,10)
InChIKeyVHRVJYZZWNADNS-UHFFFAOYSA-N
XLogP-0.98
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.98
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 1-methylpyrazole-3-carbohydrazide?
The IUPAC name of 1-methylpyrazole-3-carbohydrazide (CID 955611) is 1-methylpyrazole-3-carbohydrazide.
What is the SMILES notation for 1-methylpyrazole-3-carbohydrazide?
The canonical SMILES for 1-methylpyrazole-3-carbohydrazide is Cn1ccc(C(=O)NN)n1.
What is the InChIKey of 1-methylpyrazole-3-carbohydrazide?
The InChIKey is VHRVJYZZWNADNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-9-3-2-4(8-9)5(10)7-6/h2-3H,6H2,1H3,(H,7,10).
What are the key properties of 1-methylpyrazole-3-carbohydrazide?
1-methylpyrazole-3-carbohydrazide has a molecular weight of 140.15 g/mol, XLogP of -0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrazole-3-carbohydrazide is sourced from PubChem (CID 955611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).