1-phenylpyrazole-4-carbohydrazide

C10H10N4O — CID 28742734

IUPAC1-phenylpyrazole-4-carbohydrazide
SMILESNNC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C10H10N4O/c11-13-10(15)8-6-12-14(7-8)9-4-2-1-3-5-9/h1-7H,11H2,(H,13,15)
InChIKeyHUHMJJXREIPQCF-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.48
Rot. Bonds2

About 1-phenylpyrazole-4-carbohydrazide

1-phenylpyrazole-4-carbohydrazide (PubChem CID 28742734) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 1-phenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-phenylpyrazole-4-carbohydrazide
PubChem CID28742734
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name1-phenylpyrazole-4-carbohydrazide
SMILESNNC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C10H10N4O/c11-13-10(15)8-6-12-14(7-8)9-4-2-1-3-5-9/h1-7H,11H2,(H,13,15)
InChIKeyHUHMJJXREIPQCF-UHFFFAOYSA-N
XLogP0.48
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.48
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-phenylpyrazole-4-carbohydrazide?
The IUPAC name of 1-phenylpyrazole-4-carbohydrazide (CID 28742734) is 1-phenylpyrazole-4-carbohydrazide.
What is the SMILES notation for 1-phenylpyrazole-4-carbohydrazide?
The canonical SMILES for 1-phenylpyrazole-4-carbohydrazide is NNC(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-phenylpyrazole-4-carbohydrazide?
The InChIKey is HUHMJJXREIPQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c11-13-10(15)8-6-12-14(7-8)9-4-2-1-3-5-9/h1-7H,11H2,(H,13,15).
What are the key properties of 1-phenylpyrazole-4-carbohydrazide?
1-phenylpyrazole-4-carbohydrazide has a molecular weight of 202.22 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 28742734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).