ethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide

C12H17N3O2 — CID 142077122

IUPACethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide
SMILESCC.CON(C)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C10H11N3O2.C2H6/c1-13(15-2)10(14)9-7-5-3-4-6-8(7)11-12-9;1-2/h3-6H,1-2H3,(H,11,12);1-2H3
InChIKeyXSGWPEUTLLXQPP-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.22
Rot. Bonds2

About ethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide

ethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide (PubChem CID 142077122) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is ethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Nameethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide
PubChem CID142077122
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Nameethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide
SMILESCC.CON(C)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C10H11N3O2.C2H6/c1-13(15-2)10(14)9-7-5-3-4-6-8(7)11-12-9;1-2/h3-6H,1-2H3,(H,11,12);1-2H3
InChIKeyXSGWPEUTLLXQPP-UHFFFAOYSA-N
XLogP2.22
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 62818630
1-(1H-indazol-3-yl)ethanone
CID 15684169
N-methyl-N-pyridin-2-yl-1H-indazole-3-carboxamide
CID 64983096
N-methoxy-1H-indazole-3-carboxamide
CID 60722689
N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide
CID 63932230
3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 55008009
N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 51162817
N-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide
CID 60655163
N-(3-hydroxyphenyl)-N-methyl-1H-indazole-3-carboxamide
CID 107735760
N-methyl-N-(3-methylphenyl)-1H-indazole-3-carboxamide
CID 62949104
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-1H-indazole-3-carboxamide
CID 110125701
N-benzyl-N-(2-methoxyethyl)-1H-indazole-3-carboxamide
CID 31236371

Frequently Asked Questions

What is the IUPAC name of ethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of ethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide (CID 142077122) is ethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for ethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for ethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide is CC.CON(C)C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of ethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is XSGWPEUTLLXQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2.C2H6/c1-13(15-2)10(14)9-7-5-3-4-6-8(7)11-12-9;1-2/h3-6H,1-2H3,(H,11,12);1-2H3.
What are the key properties of ethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide?
ethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 142077122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).