2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide

C11H11FN4O2 — CID 4962219

IUPAC2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide
SMILESNNC(=O)Cc1cc(=O)n(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C11H11FN4O2/c12-7-1-3-9(4-2-7)16-11(18)6-8(15-16)5-10(17)14-13/h1-4,6,15H,5,13H2,(H,14,17)
InChIKeyTXWQRUOGUJKVLJ-UHFFFAOYSA-N
MW250.23 g/mol
LogP-0.16
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide

2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide (PubChem CID 4962219) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide
PubChem CID4962219
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide
SMILESNNC(=O)Cc1cc(=O)n(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C11H11FN4O2/c12-7-1-3-9(4-2-7)16-11(18)6-8(15-16)5-10(17)14-13/h1-4,6,15H,5,13H2,(H,14,17)
InChIKeyTXWQRUOGUJKVLJ-UHFFFAOYSA-N
XLogP-0.16
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide?
The IUPAC name of 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide (CID 4962219) is 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide is NNC(=O)Cc1cc(=O)n(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide?
The InChIKey is TXWQRUOGUJKVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c12-7-1-3-9(4-2-7)16-11(18)6-8(15-16)5-10(17)14-13/h1-4,6,15H,5,13H2,(H,14,17).
What are the key properties of 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide?
2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide has a molecular weight of 250.23 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-3-oxo-1H-pyrazol-5-yl]acetohydrazide is sourced from PubChem (CID 4962219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).