2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide

C6H7F3N4O — CID 2064142

IUPAC2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
SMILESNNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C6H7F3N4O/c7-6(8,9)4-1-2-13(12-4)3-5(14)11-10/h1-2H,3,10H2,(H,11,14)
InChIKeySZWJDZRNZOXFKQ-UHFFFAOYSA-N
MW208.14 g/mol
LogP-0.11
Rot. Bonds2

About 2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide

2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide (PubChem CID 2064142) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
PubChem CID2064142
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC Name2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
SMILESNNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C6H7F3N4O/c7-6(8,9)4-1-2-13(12-4)3-5(14)11-10/h1-2H,3,10H2,(H,11,14)
InChIKeySZWJDZRNZOXFKQ-UHFFFAOYSA-N
XLogP-0.11
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 5-0.11
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-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide (CID 2064142) is 2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide.
What is the SMILES notation for 2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The canonical SMILES for 2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide is NNC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The InChIKey is SZWJDZRNZOXFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c7-6(8,9)4-1-2-13(12-4)3-5(14)11-10/h1-2H,3,10H2,(H,11,14).
What are the key properties of 2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide has a molecular weight of 208.14 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide is sourced from PubChem (CID 2064142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).