5-N-hydroxy-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C11H12N4O3 — CID 71601544

IUPAC5-N-hydroxy-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)NO)=NN1c1ccccc1
InChIInChI=1S/C11H12N4O3/c12-10(16)9-6-8(11(17)14-18)13-15(9)7-4-2-1-3-5-7/h1-5,9,18H,6H2,(H2,12,16)(H,14,17)
InChIKeyYETHZGPYTYHDEC-UHFFFAOYSA-N
MW248.24 g/mol
LogP-0.39
Rot. Bonds3

About 5-N-hydroxy-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

5-N-hydroxy-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 71601544) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 5-N-hydroxy-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-hydroxy-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID71601544
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name5-N-hydroxy-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)NO)=NN1c1ccccc1
InChIInChI=1S/C11H12N4O3/c12-10(16)9-6-8(11(17)14-18)13-15(9)7-4-2-1-3-5-7/h1-5,9,18H,6H2,(H2,12,16)(H,14,17)
InChIKeyYETHZGPYTYHDEC-UHFFFAOYSA-N
XLogP-0.39
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 5-N-hydroxy-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-hydroxy-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 71601544) is 5-N-hydroxy-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-hydroxy-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-hydroxy-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is NC(=O)C1CC(C(=O)NO)=NN1c1ccccc1.
What is the InChIKey of 5-N-hydroxy-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is YETHZGPYTYHDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c12-10(16)9-6-8(11(17)14-18)13-15(9)7-4-2-1-3-5-7/h1-5,9,18H,6H2,(H2,12,16)(H,14,17).
What are the key properties of 5-N-hydroxy-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
5-N-hydroxy-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 248.24 g/mol, XLogP of -0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-hydroxy-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 71601544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).