1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide

C11H9F3N4O — CID 2776448

IUPAC1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide
SMILESNNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)9-8(10(19)17-15)6-16-18(9)7-4-2-1-3-5-7/h1-6H,15H2,(H,17,19)
InChIKeyHHPIIZJILLCOBV-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.49
Rot. Bonds2

About 1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide

1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide (PubChem CID 2776448) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide
PubChem CID2776448
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide
SMILESNNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)9-8(10(19)17-15)6-16-18(9)7-4-2-1-3-5-7/h1-6H,15H2,(H,17,19)
InChIKeyHHPIIZJILLCOBV-UHFFFAOYSA-N
XLogP1.49
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.49
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 1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
The IUPAC name of 1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide (CID 2776448) is 1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide is NNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
The InChIKey is HHPIIZJILLCOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c12-11(13,14)9-8(10(19)17-15)6-16-18(9)7-4-2-1-3-5-7/h1-6H,15H2,(H,17,19).
What are the key properties of 1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide?
1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide has a molecular weight of 270.21 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 2776448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).