N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

C8H11N3O2 — CID 126986453

IUPACN-hydroxy-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESO=C(NO)C1CCCc2cn[nH]c21
InChIInChI=1S/C8H11N3O2/c12-8(11-13)6-3-1-2-5-4-9-10-7(5)6/h4,6,13H,1-3H2,(H,9,10)(H,11,12)
InChIKeyMIPDTYQHNBPJOK-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.34
Rot. Bonds1

About N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide

N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (PubChem CID 126986453) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
PubChem CID126986453
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-hydroxy-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
SMILESO=C(NO)C1CCCc2cn[nH]c21
InChIInChI=1S/C8H11N3O2/c12-8(11-13)6-3-1-2-5-4-9-10-7(5)6/h4,6,13H,1-3H2,(H,9,10)(H,11,12)
InChIKeyMIPDTYQHNBPJOK-UHFFFAOYSA-N
XLogP0.34
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.34
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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Related Compounds

1,3-bis(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 155950298
N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 130625748
(7R)-N-[(2R)-2-(4-chlorophenoxy)propyl]-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 97087225
N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide
CID 119787830
1-cyclohexyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide
CID 127500754
3-amino-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)cyclohexane-1-carboxamide
CID 119787796
(3,3-dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-7-yl)methanone
CID 154751501
1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
CID 97228997
2-(cyclopropylmethylamino)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 119787806
3-amino-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119787793
[(2S)-1-oxo-1-phenylpropan-2-yl] (7S)-4,5,6,7-tetrahydro-1H-indazole-7-carboxylate
CID 97246692
2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)oxane-3-carboxamide
CID 138043861

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The IUPAC name of N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide (CID 126986453) is N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide.
What is the SMILES notation for N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The canonical SMILES for N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is O=C(NO)C1CCCc2cn[nH]c21.
What is the InChIKey of N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
The InChIKey is MIPDTYQHNBPJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-8(11-13)6-3-1-2-5-4-9-10-7(5)6/h4,6,13H,1-3H2,(H,9,10)(H,11,12).
What are the key properties of N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide?
N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide has a molecular weight of 181.19 g/mol, XLogP of 0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide is sourced from PubChem (CID 126986453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).