2-tert-butyl-5-methylpyrazole-3-carbohydrazide

C9H16N4O — CID 573245

IUPAC2-tert-butyl-5-methylpyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NN)n(C(C)(C)C)n1
InChIInChI=1S/C9H16N4O/c1-6-5-7(8(14)11-10)13(12-6)9(2,3)4/h5H,10H2,1-4H3,(H,11,14)
InChIKeyVNTJKBUNSPBHMW-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.55
Rot. Bonds1

About 2-tert-butyl-5-methylpyrazole-3-carbohydrazide

2-tert-butyl-5-methylpyrazole-3-carbohydrazide (PubChem CID 573245) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-tert-butyl-5-methylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name2-tert-butyl-5-methylpyrazole-3-carbohydrazide
PubChem CID573245
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-tert-butyl-5-methylpyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NN)n(C(C)(C)C)n1
InChIInChI=1S/C9H16N4O/c1-6-5-7(8(14)11-10)13(12-6)9(2,3)4/h5H,10H2,1-4H3,(H,11,14)
InChIKeyVNTJKBUNSPBHMW-UHFFFAOYSA-N
XLogP0.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.55
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-tert-butyl-5-methylpyrazole-3-carbohydrazide?
The IUPAC name of 2-tert-butyl-5-methylpyrazole-3-carbohydrazide (CID 573245) is 2-tert-butyl-5-methylpyrazole-3-carbohydrazide.
What is the SMILES notation for 2-tert-butyl-5-methylpyrazole-3-carbohydrazide?
The canonical SMILES for 2-tert-butyl-5-methylpyrazole-3-carbohydrazide is Cc1cc(C(=O)NN)n(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-5-methylpyrazole-3-carbohydrazide?
The InChIKey is VNTJKBUNSPBHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6-5-7(8(14)11-10)13(12-6)9(2,3)4/h5H,10H2,1-4H3,(H,11,14).
What are the key properties of 2-tert-butyl-5-methylpyrazole-3-carbohydrazide?
2-tert-butyl-5-methylpyrazole-3-carbohydrazide has a molecular weight of 196.25 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methylpyrazole-3-carbohydrazide is sourced from PubChem (CID 573245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).