N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(trifluoromethoxy)benzohydrazide

C15H15F3N4O3 — CID 4795350

IUPACN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(trifluoromethoxy)benzohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C15H15F3N4O3/c1-9-7-10(2)22(21-9)8-13(23)19-20-14(24)11-3-5-12(6-4-11)25-15(16,17)18/h3-7H,8H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyOSGNERDFTAMFSR-UHFFFAOYSA-N
MW356.30 g/mol
LogP1.86
Rot. Bonds4

About N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(trifluoromethoxy)benzohydrazide

N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(trifluoromethoxy)benzohydrazide (PubChem CID 4795350) has the molecular formula C15H15F3N4O3 and a molecular weight of 356.30 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(trifluoromethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(trifluoromethoxy)benzohydrazide
PubChem CID4795350
Molecular FormulaC15H15F3N4O3
Molecular Weight356.30 g/mol
Exact Mass356.11
IUPAC NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(trifluoromethoxy)benzohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C15H15F3N4O3/c1-9-7-10(2)22(21-9)8-13(23)19-20-14(24)11-3-5-12(6-4-11)25-15(16,17)18/h3-7H,8H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyOSGNERDFTAMFSR-UHFFFAOYSA-N
XLogP1.86
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(trifluoromethoxy)benzohydrazide?
The IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(trifluoromethoxy)benzohydrazide (CID 4795350) is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(trifluoromethoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(trifluoromethoxy)benzohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(trifluoromethoxy)benzohydrazide is Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(trifluoromethoxy)benzohydrazide?
The InChIKey is OSGNERDFTAMFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O3/c1-9-7-10(2)22(21-9)8-13(23)19-20-14(24)11-3-5-12(6-4-11)25-15(16,17)18/h3-7H,8H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(trifluoromethoxy)benzohydrazide?
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(trifluoromethoxy)benzohydrazide has a molecular weight of 356.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-(trifluoromethoxy)benzohydrazide is sourced from PubChem (CID 4795350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).