N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylindazole-3-carboxamide

C14H18BrN3O2 — CID 103122845

IUPACN-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylindazole-3-carboxamide
SMILESCOCCN(CCBr)C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H18BrN3O2/c1-17-12-6-4-3-5-11(12)13(16-17)14(19)18(8-7-15)9-10-20-2/h3-6H,7-10H2,1-2H3
InChIKeyTYEMQTZPMRLJIQ-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.06
Rot. Bonds6

About N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylindazole-3-carboxamide

N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylindazole-3-carboxamide (PubChem CID 103122845) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylindazole-3-carboxamide
PubChem CID103122845
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC NameN-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylindazole-3-carboxamide
SMILESCOCCN(CCBr)C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H18BrN3O2/c1-17-12-6-4-3-5-11(12)13(16-17)14(19)18(8-7-15)9-10-20-2/h3-6H,7-10H2,1-2H3
InChIKeyTYEMQTZPMRLJIQ-UHFFFAOYSA-N
XLogP2.06
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-N-(2,2-difluoroethyl)-1-methylindazole-3-carboxamide
CID 107491860
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
N-(3-bromopropyl)-1-methylindazole-3-carboxamide
CID 103119709
4-methoxy-1-(1-methylindazol-3-yl)butan-1-one
CID 103125569
N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide
CID 103122847
2-[(1-methylindazole-3-carbonyl)-propylamino]acetic acid
CID 103116595
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylindazole-3-carboxamide
CID 103120277
5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one
CID 112754729
N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 103120182
methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121172
N,1-dimethyl-N-[2-(methylamino)ethyl]indazole-3-carboxamide
CID 103117269
N,1-dimethyl-N-phenylindazole-3-carboxamide
CID 110856917

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylindazole-3-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylindazole-3-carboxamide (CID 103122845) is N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylindazole-3-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylindazole-3-carboxamide is COCCN(CCBr)C(=O)c1nn(C)c2ccccc12.
What is the InChIKey of N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylindazole-3-carboxamide?
The InChIKey is TYEMQTZPMRLJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-17-12-6-4-3-5-11(12)13(16-17)14(19)18(8-7-15)9-10-20-2/h3-6H,7-10H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylindazole-3-carboxamide?
N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylindazole-3-carboxamide has a molecular weight of 340.22 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylindazole-3-carboxamide is sourced from PubChem (CID 103122845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).