1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbohydrazide

C8H6F8N4O — CID 118418742

IUPAC1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbohydrazide
SMILESCn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1C(=O)NN
InChIInChI=1S/C8H6F8N4O/c1-20-3(5(21)18-17)2(7(11,12)13)4(19-20)6(9,10)8(14,15)16/h17H2,1H3,(H,18,21)
InChIKeyILJAFYJHMJBSEG-UHFFFAOYSA-N
MW326.15 g/mol
LogP1.70
Rot. Bonds2

About 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbohydrazide

1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbohydrazide (PubChem CID 118418742) has the molecular formula C8H6F8N4O and a molecular weight of 326.15 g/mol. Its IUPAC name is 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbohydrazide
PubChem CID118418742
Molecular FormulaC8H6F8N4O
Molecular Weight326.15 g/mol
Exact Mass326.04
IUPAC Name1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbohydrazide
SMILESCn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1C(=O)NN
InChIInChI=1S/C8H6F8N4O/c1-20-3(5(21)18-17)2(7(11,12)13)4(19-20)6(9,10)8(14,15)16/h17H2,1H3,(H,18,21)
InChIKeyILJAFYJHMJBSEG-UHFFFAOYSA-N
XLogP1.70
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 51.70
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbohydrazide?
The IUPAC name of 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbohydrazide (CID 118418742) is 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbohydrazide.
What is the SMILES notation for 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbohydrazide?
The canonical SMILES for 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbohydrazide is Cn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1C(=O)NN.
What is the InChIKey of 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbohydrazide?
The InChIKey is ILJAFYJHMJBSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F8N4O/c1-20-3(5(21)18-17)2(7(11,12)13)4(19-20)6(9,10)8(14,15)16/h17H2,1H3,(H,18,21).
What are the key properties of 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbohydrazide?
1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbohydrazide has a molecular weight of 326.15 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carbohydrazide is sourced from PubChem (CID 118418742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).