2-(difluoromethyl)pyrazole-3-carbohydrazide

C5H6F2N4O — CID 7017058

IUPAC2-(difluoromethyl)pyrazole-3-carbohydrazide
SMILESNNC(=O)c1ccnn1C(F)F
InChIInChI=1S/C5H6F2N4O/c6-5(7)11-3(1-2-9-11)4(12)10-8/h1-2,5H,8H2,(H,10,12)
InChIKeySIBJVTGMNWBTNS-UHFFFAOYSA-N
MW176.13 g/mol
LogP-0.12
Rot. Bonds2

About 2-(difluoromethyl)pyrazole-3-carbohydrazide

2-(difluoromethyl)pyrazole-3-carbohydrazide (PubChem CID 7017058) has the molecular formula C5H6F2N4O and a molecular weight of 176.13 g/mol. Its IUPAC name is 2-(difluoromethyl)pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name2-(difluoromethyl)pyrazole-3-carbohydrazide
PubChem CID7017058
Molecular FormulaC5H6F2N4O
Molecular Weight176.13 g/mol
Exact Mass176.05
IUPAC Name2-(difluoromethyl)pyrazole-3-carbohydrazide
SMILESNNC(=O)c1ccnn1C(F)F
InChIInChI=1S/C5H6F2N4O/c6-5(7)11-3(1-2-9-11)4(12)10-8/h1-2,5H,8H2,(H,10,12)
InChIKeySIBJVTGMNWBTNS-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 2-(difluoromethyl)pyrazole-3-carbohydrazide?
The IUPAC name of 2-(difluoromethyl)pyrazole-3-carbohydrazide (CID 7017058) is 2-(difluoromethyl)pyrazole-3-carbohydrazide.
What is the SMILES notation for 2-(difluoromethyl)pyrazole-3-carbohydrazide?
The canonical SMILES for 2-(difluoromethyl)pyrazole-3-carbohydrazide is NNC(=O)c1ccnn1C(F)F.
What is the InChIKey of 2-(difluoromethyl)pyrazole-3-carbohydrazide?
The InChIKey is SIBJVTGMNWBTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N4O/c6-5(7)11-3(1-2-9-11)4(12)10-8/h1-2,5H,8H2,(H,10,12).
What are the key properties of 2-(difluoromethyl)pyrazole-3-carbohydrazide?
2-(difluoromethyl)pyrazole-3-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 2-(difluoromethyl)pyrazole-3-carbohydrazide is sourced from PubChem (CID 7017058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).