3-ethanehydrazonoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-4-ol

C13H13F3N4O — CID 141102906

IUPAC3-ethanehydrazonoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-4-ol
SMILESCC(=NN)c1nn(C)c(-c2cccc(C(F)(F)F)c2)c1O
InChIInChI=1S/C13H13F3N4O/c1-7(18-17)10-12(21)11(20(2)19-10)8-4-3-5-9(6-8)13(14,15)16/h3-6,21H,17H2,1-2H3
InChIKeyVZIQHWMNTJQMAW-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.49
Rot. Bonds2

About 3-ethanehydrazonoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-4-ol

3-ethanehydrazonoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-4-ol (PubChem CID 141102906) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 3-ethanehydrazonoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-4-ol.

Molecular Properties

Compound Name3-ethanehydrazonoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-4-ol
PubChem CID141102906
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name3-ethanehydrazonoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-4-ol
SMILESCC(=NN)c1nn(C)c(-c2cccc(C(F)(F)F)c2)c1O
InChIInChI=1S/C13H13F3N4O/c1-7(18-17)10-12(21)11(20(2)19-10)8-4-3-5-9(6-8)13(14,15)16/h3-6,21H,17H2,1-2H3
InChIKeyVZIQHWMNTJQMAW-UHFFFAOYSA-N
XLogP2.49
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 3-ethanehydrazonoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-4-ol?
The IUPAC name of 3-ethanehydrazonoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-4-ol (CID 141102906) is 3-ethanehydrazonoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-4-ol.
What is the SMILES notation for 3-ethanehydrazonoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-4-ol?
The canonical SMILES for 3-ethanehydrazonoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-4-ol is CC(=NN)c1nn(C)c(-c2cccc(C(F)(F)F)c2)c1O.
What is the InChIKey of 3-ethanehydrazonoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-4-ol?
The InChIKey is VZIQHWMNTJQMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-7(18-17)10-12(21)11(20(2)19-10)8-4-3-5-9(6-8)13(14,15)16/h3-6,21H,17H2,1-2H3.
What are the key properties of 3-ethanehydrazonoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-4-ol?
3-ethanehydrazonoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-4-ol has a molecular weight of 298.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethanehydrazonoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazol-4-ol is sourced from PubChem (CID 141102906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).