2-(difluoromethyl)-5-methylpyrazole-3-carbohydrazide

C6H8F2N4O — CID 19616946

IUPAC2-(difluoromethyl)-5-methylpyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NN)n(C(F)F)n1
InChIInChI=1S/C6H8F2N4O/c1-3-2-4(5(13)10-9)12(11-3)6(7)8/h2,6H,9H2,1H3,(H,10,13)
InChIKeyWAWNAJRFWGYXSI-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.19
Rot. Bonds2

About 2-(difluoromethyl)-5-methylpyrazole-3-carbohydrazide

2-(difluoromethyl)-5-methylpyrazole-3-carbohydrazide (PubChem CID 19616946) has the molecular formula C6H8F2N4O and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-methylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name2-(difluoromethyl)-5-methylpyrazole-3-carbohydrazide
PubChem CID19616946
Molecular FormulaC6H8F2N4O
Molecular Weight190.15 g/mol
Exact Mass190.07
IUPAC Name2-(difluoromethyl)-5-methylpyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NN)n(C(F)F)n1
InChIInChI=1S/C6H8F2N4O/c1-3-2-4(5(13)10-9)12(11-3)6(7)8/h2,6H,9H2,1H3,(H,10,13)
InChIKeyWAWNAJRFWGYXSI-UHFFFAOYSA-N
XLogP0.19
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.19
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)-5-methylpyrazole-3-carbohydrazide?
The IUPAC name of 2-(difluoromethyl)-5-methylpyrazole-3-carbohydrazide (CID 19616946) is 2-(difluoromethyl)-5-methylpyrazole-3-carbohydrazide.
What is the SMILES notation for 2-(difluoromethyl)-5-methylpyrazole-3-carbohydrazide?
The canonical SMILES for 2-(difluoromethyl)-5-methylpyrazole-3-carbohydrazide is Cc1cc(C(=O)NN)n(C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)-5-methylpyrazole-3-carbohydrazide?
The InChIKey is WAWNAJRFWGYXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O/c1-3-2-4(5(13)10-9)12(11-3)6(7)8/h2,6H,9H2,1H3,(H,10,13).
What are the key properties of 2-(difluoromethyl)-5-methylpyrazole-3-carbohydrazide?
2-(difluoromethyl)-5-methylpyrazole-3-carbohydrazide has a molecular weight of 190.15 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-methylpyrazole-3-carbohydrazide is sourced from PubChem (CID 19616946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).