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

C8H6F8N4O — CID 118418730

IUPACN-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide
SMILESCN(N)C(=O)c1n[nH]c(C(F)(F)C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H6F8N4O/c1-20(17)5(21)3-2(7(11,12)13)4(19-18-3)6(9,10)8(14,15)16/h17H2,1H3,(H,18,19)
InChIKeyMHUUVRWTIOUOIC-UHFFFAOYSA-N
MW326.15 g/mol
LogP2.03
Rot. Bonds2

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

N-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide (PubChem CID 118418730) has the molecular formula C8H6F8N4O and a molecular weight of 326.15 g/mol. Its IUPAC name is N-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide
PubChem CID118418730
Molecular FormulaC8H6F8N4O
Molecular Weight326.15 g/mol
Exact Mass326.04
IUPAC NameN-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide
SMILESCN(N)C(=O)c1n[nH]c(C(F)(F)C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H6F8N4O/c1-20(17)5(21)3-2(7(11,12)13)4(19-18-3)6(9,10)8(14,15)16/h17H2,1H3,(H,18,19)
InChIKeyMHUUVRWTIOUOIC-UHFFFAOYSA-N
XLogP2.03
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide?
The IUPAC name of N-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide (CID 118418730) is N-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for N-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for N-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide is CN(N)C(=O)c1n[nH]c(C(F)(F)C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of N-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide?
The InChIKey is MHUUVRWTIOUOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F8N4O/c1-20(17)5(21)3-2(7(11,12)13)4(19-18-3)6(9,10)8(14,15)16/h17H2,1H3,(H,18,19).
What are the key properties of N-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide?
N-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide has a molecular weight of 326.15 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 118418730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).