(7E)-7-hydroxyimino-N,N,1-trimethyl-5,6-dihydro-4H-indazole-3-carboxamide

C11H16N4O2 — CID 175977799

IUPAC(7E)-7-hydroxyimino-N,N,1-trimethyl-5,6-dihydro-4H-indazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(C)c2c1CCC/C2=N\O
InChIInChI=1S/C11H16N4O2/c1-14(2)11(16)9-7-5-4-6-8(13-17)10(7)15(3)12-9/h17H,4-6H2,1-3H3/b13-8+
InChIKeyLYDGIBSSMUMPJE-MDWZMJQESA-N
MW236.27 g/mol
LogP0.64
Rot. Bonds1

About (7E)-7-hydroxyimino-N,N,1-trimethyl-5,6-dihydro-4H-indazole-3-carboxamide

(7E)-7-hydroxyimino-N,N,1-trimethyl-5,6-dihydro-4H-indazole-3-carboxamide (PubChem CID 175977799) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is (7E)-7-hydroxyimino-N,N,1-trimethyl-5,6-dihydro-4H-indazole-3-carboxamide.

Molecular Properties

Compound Name(7E)-7-hydroxyimino-N,N,1-trimethyl-5,6-dihydro-4H-indazole-3-carboxamide
PubChem CID175977799
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name(7E)-7-hydroxyimino-N,N,1-trimethyl-5,6-dihydro-4H-indazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(C)c2c1CCC/C2=N\O
InChIInChI=1S/C11H16N4O2/c1-14(2)11(16)9-7-5-4-6-8(13-17)10(7)15(3)12-9/h17H,4-6H2,1-3H3/b13-8+
InChIKeyLYDGIBSSMUMPJE-MDWZMJQESA-N
XLogP0.64
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (7E)-7-hydroxyimino-N,N,1-trimethyl-5,6-dihydro-4H-indazole-3-carboxamide?
The IUPAC name of (7E)-7-hydroxyimino-N,N,1-trimethyl-5,6-dihydro-4H-indazole-3-carboxamide (CID 175977799) is (7E)-7-hydroxyimino-N,N,1-trimethyl-5,6-dihydro-4H-indazole-3-carboxamide.
What is the SMILES notation for (7E)-7-hydroxyimino-N,N,1-trimethyl-5,6-dihydro-4H-indazole-3-carboxamide?
The canonical SMILES for (7E)-7-hydroxyimino-N,N,1-trimethyl-5,6-dihydro-4H-indazole-3-carboxamide is CN(C)C(=O)c1nn(C)c2c1CCC/C2=N\O.
What is the InChIKey of (7E)-7-hydroxyimino-N,N,1-trimethyl-5,6-dihydro-4H-indazole-3-carboxamide?
The InChIKey is LYDGIBSSMUMPJE-MDWZMJQESA-N. The full InChI is InChI=1S/C11H16N4O2/c1-14(2)11(16)9-7-5-4-6-8(13-17)10(7)15(3)12-9/h17H,4-6H2,1-3H3/b13-8+.
What are the key properties of (7E)-7-hydroxyimino-N,N,1-trimethyl-5,6-dihydro-4H-indazole-3-carboxamide?
(7E)-7-hydroxyimino-N,N,1-trimethyl-5,6-dihydro-4H-indazole-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-7-hydroxyimino-N,N,1-trimethyl-5,6-dihydro-4H-indazole-3-carboxamide is sourced from PubChem (CID 175977799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).