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

C15H16F3N5O3 — CID 32793253

IUPACN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)Cn2cccc(C(F)(F)F)c2=O)n1
InChIInChI=1S/C15H16F3N5O3/c1-9-6-10(2)23(21-9)8-13(25)20-19-12(24)7-22-5-3-4-11(14(22)26)15(16,17)18/h3-6H,7-8H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyJGRHZOWZJGTLSG-UHFFFAOYSA-N
MW371.32 g/mol
LogP0.53
Rot. Bonds4

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

N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide (PubChem CID 32793253) has the molecular formula C15H16F3N5O3 and a molecular weight of 371.32 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide
PubChem CID32793253
Molecular FormulaC15H16F3N5O3
Molecular Weight371.32 g/mol
Exact Mass371.12
IUPAC NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)Cn2cccc(C(F)(F)F)c2=O)n1
InChIInChI=1S/C15H16F3N5O3/c1-9-6-10(2)23(21-9)8-13(25)20-19-12(24)7-22-5-3-4-11(14(22)26)15(16,17)18/h3-6H,7-8H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyJGRHZOWZJGTLSG-UHFFFAOYSA-N
XLogP0.53
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide?
The IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide (CID 32793253) is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide is Cc1cc(C)n(CC(=O)NNC(=O)Cn2cccc(C(F)(F)F)c2=O)n1.
What is the InChIKey of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide?
The InChIKey is JGRHZOWZJGTLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O3/c1-9-6-10(2)23(21-9)8-13(25)20-19-12(24)7-22-5-3-4-11(14(22)26)15(16,17)18/h3-6H,7-8H2,1-2H3,(H,19,24)(H,20,25).
What are the key properties of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide?
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide has a molecular weight of 371.32 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetohydrazide is sourced from PubChem (CID 32793253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).