4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide

C11H9F3N4O2 — CID 2113983

IUPAC4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide
SMILESNNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O
InChIInChI=1S/C11H9F3N4O2/c12-11(13,14)6-3-1-2-4-7(6)18-5-8(19)9(17-18)10(20)16-15/h1-5,19H,15H2,(H,16,20)
InChIKeyIVMVFQXFYMNZII-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.20
Rot. Bonds2

About 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide

4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide (PubChem CID 2113983) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide
PubChem CID2113983
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Name4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide
SMILESNNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O
InChIInChI=1S/C11H9F3N4O2/c12-11(13,14)6-3-1-2-4-7(6)18-5-8(19)9(17-18)10(20)16-15/h1-5,19H,15H2,(H,16,20)
InChIKeyIVMVFQXFYMNZII-UHFFFAOYSA-N
XLogP1.20
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide?
The IUPAC name of 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide (CID 2113983) is 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide.
What is the SMILES notation for 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide?
The canonical SMILES for 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide is NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O.
What is the InChIKey of 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide?
The InChIKey is IVMVFQXFYMNZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c12-11(13,14)6-3-1-2-4-7(6)18-5-8(19)9(17-18)10(20)16-15/h1-5,19H,15H2,(H,16,20).
What are the key properties of 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide?
4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide has a molecular weight of 286.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carbohydrazide is sourced from PubChem (CID 2113983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).