5-tert-butyl-1H-pyrazole-3-carbohydrazide

C8H14N4O — CID 718956

IUPAC5-tert-butyl-1H-pyrazole-3-carbohydrazide
SMILESCC(C)(C)c1cc(C(=O)NN)n[nH]1
InChIInChI=1S/C8H14N4O/c1-8(2,3)6-4-5(11-12-6)7(13)10-9/h4H,9H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyZJFRMJHBYDBUGG-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.31
Rot. Bonds1

About 5-tert-butyl-1H-pyrazole-3-carbohydrazide

5-tert-butyl-1H-pyrazole-3-carbohydrazide (PubChem CID 718956) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-tert-butyl-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name5-tert-butyl-1H-pyrazole-3-carbohydrazide
PubChem CID718956
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name5-tert-butyl-1H-pyrazole-3-carbohydrazide
SMILESCC(C)(C)c1cc(C(=O)NN)n[nH]1
InChIInChI=1S/C8H14N4O/c1-8(2,3)6-4-5(11-12-6)7(13)10-9/h4H,9H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyZJFRMJHBYDBUGG-UHFFFAOYSA-N
XLogP0.31
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.31
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-tert-butyl-1H-pyrazole-3-carbohydrazide?
The IUPAC name of 5-tert-butyl-1H-pyrazole-3-carbohydrazide (CID 718956) is 5-tert-butyl-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for 5-tert-butyl-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for 5-tert-butyl-1H-pyrazole-3-carbohydrazide is CC(C)(C)c1cc(C(=O)NN)n[nH]1.
What is the InChIKey of 5-tert-butyl-1H-pyrazole-3-carbohydrazide?
The InChIKey is ZJFRMJHBYDBUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-8(2,3)6-4-5(11-12-6)7(13)10-9/h4H,9H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of 5-tert-butyl-1H-pyrazole-3-carbohydrazide?
5-tert-butyl-1H-pyrazole-3-carbohydrazide has a molecular weight of 182.23 g/mol, XLogP of 0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 718956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).