N-hydroxy-3-phenyl-1,4-dihydroindeno[2,3-d]pyrazole-4-carboxamide

C17H13N3O2 — CID 155397164

IUPACN-hydroxy-3-phenyl-1,4-dihydroindeno[2,3-d]pyrazole-4-carboxamide
SMILESO=C(NO)C1c2ccccc2-c2[nH]nc(-c3ccccc3)c21
InChIInChI=1S/C17H13N3O2/c21-17(20-22)13-11-8-4-5-9-12(11)16-14(13)15(18-19-16)10-6-2-1-3-7-10/h1-9,13,22H,(H,18,19)(H,20,21)
InChIKeyQIUDIYOWKJCROY-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.69
Rot. Bonds2

About N-hydroxy-3-phenyl-1,4-dihydroindeno[2,3-d]pyrazole-4-carboxamide

N-hydroxy-3-phenyl-1,4-dihydroindeno[2,3-d]pyrazole-4-carboxamide (PubChem CID 155397164) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-hydroxy-3-phenyl-1,4-dihydroindeno[2,3-d]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-phenyl-1,4-dihydroindeno[2,3-d]pyrazole-4-carboxamide
PubChem CID155397164
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC NameN-hydroxy-3-phenyl-1,4-dihydroindeno[2,3-d]pyrazole-4-carboxamide
SMILESO=C(NO)C1c2ccccc2-c2[nH]nc(-c3ccccc3)c21
InChIInChI=1S/C17H13N3O2/c21-17(20-22)13-11-8-4-5-9-12(11)16-14(13)15(18-19-16)10-6-2-1-3-7-10/h1-9,13,22H,(H,18,19)(H,20,21)
InChIKeyQIUDIYOWKJCROY-UHFFFAOYSA-N
XLogP2.69
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-hydroxy-3-phenyl-1,4-dihydroindeno[2,3-d]pyrazole-4-carboxamide?
The IUPAC name of N-hydroxy-3-phenyl-1,4-dihydroindeno[2,3-d]pyrazole-4-carboxamide (CID 155397164) is N-hydroxy-3-phenyl-1,4-dihydroindeno[2,3-d]pyrazole-4-carboxamide.
What is the SMILES notation for N-hydroxy-3-phenyl-1,4-dihydroindeno[2,3-d]pyrazole-4-carboxamide?
The canonical SMILES for N-hydroxy-3-phenyl-1,4-dihydroindeno[2,3-d]pyrazole-4-carboxamide is O=C(NO)C1c2ccccc2-c2[nH]nc(-c3ccccc3)c21.
What is the InChIKey of N-hydroxy-3-phenyl-1,4-dihydroindeno[2,3-d]pyrazole-4-carboxamide?
The InChIKey is QIUDIYOWKJCROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-17(20-22)13-11-8-4-5-9-12(11)16-14(13)15(18-19-16)10-6-2-1-3-7-10/h1-9,13,22H,(H,18,19)(H,20,21).
What are the key properties of N-hydroxy-3-phenyl-1,4-dihydroindeno[2,3-d]pyrazole-4-carboxamide?
N-hydroxy-3-phenyl-1,4-dihydroindeno[2,3-d]pyrazole-4-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-phenyl-1,4-dihydroindeno[2,3-d]pyrazole-4-carboxamide is sourced from PubChem (CID 155397164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).