1-ethylpyrazole-3-carbohydrazide

C6H10N4O — CID 19616932

IUPAC1-ethylpyrazole-3-carbohydrazide
SMILESCCn1ccc(C(=O)NN)n1
InChIInChI=1S/C6H10N4O/c1-2-10-4-3-5(9-10)6(11)8-7/h3-4H,2,7H2,1H3,(H,8,11)
InChIKeyFISKYJZRFJOKDJ-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.49
Rot. Bonds2

About 1-ethylpyrazole-3-carbohydrazide

1-ethylpyrazole-3-carbohydrazide (PubChem CID 19616932) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-ethylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-ethylpyrazole-3-carbohydrazide
PubChem CID19616932
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name1-ethylpyrazole-3-carbohydrazide
SMILESCCn1ccc(C(=O)NN)n1
InChIInChI=1S/C6H10N4O/c1-2-10-4-3-5(9-10)6(11)8-7/h3-4H,2,7H2,1H3,(H,8,11)
InChIKeyFISKYJZRFJOKDJ-UHFFFAOYSA-N
XLogP-0.49
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.49
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-ethylpyrazole-3-carbohydrazide?
The IUPAC name of 1-ethylpyrazole-3-carbohydrazide (CID 19616932) is 1-ethylpyrazole-3-carbohydrazide.
What is the SMILES notation for 1-ethylpyrazole-3-carbohydrazide?
The canonical SMILES for 1-ethylpyrazole-3-carbohydrazide is CCn1ccc(C(=O)NN)n1.
What is the InChIKey of 1-ethylpyrazole-3-carbohydrazide?
The InChIKey is FISKYJZRFJOKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-2-10-4-3-5(9-10)6(11)8-7/h3-4H,2,7H2,1H3,(H,8,11).
What are the key properties of 1-ethylpyrazole-3-carbohydrazide?
1-ethylpyrazole-3-carbohydrazide has a molecular weight of 154.17 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrazole-3-carbohydrazide is sourced from PubChem (CID 19616932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).