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

C15H15F3N4O2 — CID 24819863

IUPACN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(trifluoromethyl)benzohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H15F3N4O2/c1-9-6-10(2)22(21-9)8-13(23)19-20-14(24)11-4-3-5-12(7-11)15(16,17)18/h3-7H,8H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyCBEUKHSDNBZDJB-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.98
Rot. Bonds3

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

N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(trifluoromethyl)benzohydrazide (PubChem CID 24819863) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(trifluoromethyl)benzohydrazide
PubChem CID24819863
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(trifluoromethyl)benzohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H15F3N4O2/c1-9-6-10(2)22(21-9)8-13(23)19-20-14(24)11-4-3-5-12(7-11)15(16,17)18/h3-7H,8H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyCBEUKHSDNBZDJB-UHFFFAOYSA-N
XLogP1.98
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]-3-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(trifluoromethyl)benzohydrazide (CID 24819863) is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(trifluoromethyl)benzohydrazide is Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(trifluoromethyl)benzohydrazide?
The InChIKey is CBEUKHSDNBZDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-9-6-10(2)22(21-9)8-13(23)19-20-14(24)11-4-3-5-12(7-11)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]-3-(trifluoromethyl)benzohydrazide?
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(trifluoromethyl)benzohydrazide has a molecular weight of 340.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 24819863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).