2-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1H-pyridine-3-carbohydrazide

C12H10F3N5O3 — CID 17499096

IUPAC2-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1H-pyridine-3-carbohydrazide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C12H10F3N5O3/c13-12(14,15)8-3-5-20(19-8)6-9(21)17-18-11(23)7-2-1-4-16-10(7)22/h1-5H,6H2,(H,16,22)(H,17,21)(H,18,23)
InChIKeyCXDVJTPENOYXMO-UHFFFAOYSA-N
MW329.24 g/mol
LogP0.05
Rot. Bonds3

About 2-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1H-pyridine-3-carbohydrazide

2-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1H-pyridine-3-carbohydrazide (PubChem CID 17499096) has the molecular formula C12H10F3N5O3 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1H-pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1H-pyridine-3-carbohydrazide
PubChem CID17499096
Molecular FormulaC12H10F3N5O3
Molecular Weight329.24 g/mol
Exact Mass329.07
IUPAC Name2-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1H-pyridine-3-carbohydrazide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C12H10F3N5O3/c13-12(14,15)8-3-5-20(19-8)6-9(21)17-18-11(23)7-2-1-4-16-10(7)22/h1-5H,6H2,(H,16,22)(H,17,21)(H,18,23)
InChIKeyCXDVJTPENOYXMO-UHFFFAOYSA-N
XLogP0.05
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 50.05
H-Bond Donors ≤ 53
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 2-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1H-pyridine-3-carbohydrazide?
The IUPAC name of 2-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1H-pyridine-3-carbohydrazide (CID 17499096) is 2-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1H-pyridine-3-carbohydrazide.
What is the SMILES notation for 2-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1H-pyridine-3-carbohydrazide?
The canonical SMILES for 2-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1H-pyridine-3-carbohydrazide is O=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1H-pyridine-3-carbohydrazide?
The InChIKey is CXDVJTPENOYXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O3/c13-12(14,15)8-3-5-20(19-8)6-9(21)17-18-11(23)7-2-1-4-16-10(7)22/h1-5H,6H2,(H,16,22)(H,17,21)(H,18,23).
What are the key properties of 2-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1H-pyridine-3-carbohydrazide?
2-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1H-pyridine-3-carbohydrazide has a molecular weight of 329.24 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1H-pyridine-3-carbohydrazide is sourced from PubChem (CID 17499096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).