1-(difluoromethyl)pyrazole-4-carbohydrazide

C5H6F2N4O — CID 55281721

IUPAC1-(difluoromethyl)pyrazole-4-carbohydrazide
SMILESNNC(=O)c1cnn(C(F)F)c1
InChIInChI=1S/C5H6F2N4O/c6-5(7)11-2-3(1-9-11)4(12)10-8/h1-2,5H,8H2,(H,10,12)
InChIKeyGNCSRMZULKNWMB-UHFFFAOYSA-N
MW176.13 g/mol
LogP-0.12
Rot. Bonds2

About 1-(difluoromethyl)pyrazole-4-carbohydrazide

1-(difluoromethyl)pyrazole-4-carbohydrazide (PubChem CID 55281721) has the molecular formula C5H6F2N4O and a molecular weight of 176.13 g/mol. Its IUPAC name is 1-(difluoromethyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(difluoromethyl)pyrazole-4-carbohydrazide
PubChem CID55281721
Molecular FormulaC5H6F2N4O
Molecular Weight176.13 g/mol
Exact Mass176.05
IUPAC Name1-(difluoromethyl)pyrazole-4-carbohydrazide
SMILESNNC(=O)c1cnn(C(F)F)c1
InChIInChI=1S/C5H6F2N4O/c6-5(7)11-2-3(1-9-11)4(12)10-8/h1-2,5H,8H2,(H,10,12)
InChIKeyGNCSRMZULKNWMB-UHFFFAOYSA-N
XLogP-0.12
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.13
LogP ≤ 5-0.12
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-(difluoromethyl)pyrazole-4-carbohydrazide?
The IUPAC name of 1-(difluoromethyl)pyrazole-4-carbohydrazide (CID 55281721) is 1-(difluoromethyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 1-(difluoromethyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 1-(difluoromethyl)pyrazole-4-carbohydrazide is NNC(=O)c1cnn(C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)pyrazole-4-carbohydrazide?
The InChIKey is GNCSRMZULKNWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N4O/c6-5(7)11-2-3(1-9-11)4(12)10-8/h1-2,5H,8H2,(H,10,12).
What are the key properties of 1-(difluoromethyl)pyrazole-4-carbohydrazide?
1-(difluoromethyl)pyrazole-4-carbohydrazide has a molecular weight of 176.13 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 55281721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).