N-benzyl-N-(2-methoxyethyl)-1H-indazole-3-carboxamide

C18H19N3O2 — CID 31236371

IUPACN-benzyl-N-(2-methoxyethyl)-1H-indazole-3-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H19N3O2/c1-23-12-11-21(13-14-7-3-2-4-8-14)18(22)17-15-9-5-6-10-16(15)19-20-17/h2-10H,11-13H2,1H3,(H,19,20)
InChIKeyJSIUBAIMCVBNKE-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.85
Rot. Bonds6

About N-benzyl-N-(2-methoxyethyl)-1H-indazole-3-carboxamide

N-benzyl-N-(2-methoxyethyl)-1H-indazole-3-carboxamide (PubChem CID 31236371) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyethyl)-1H-indazole-3-carboxamide
PubChem CID31236371
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-benzyl-N-(2-methoxyethyl)-1H-indazole-3-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H19N3O2/c1-23-12-11-21(13-14-7-3-2-4-8-14)18(22)17-15-9-5-6-10-16(15)19-20-17/h2-10H,11-13H2,1H3,(H,19,20)
InChIKeyJSIUBAIMCVBNKE-UHFFFAOYSA-N
XLogP2.85
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 111122221
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CID 41277760
N-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide
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N-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 32953564
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
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N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 51162817
ethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide
CID 142077122
N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 43003333
N-benzyl-4-[(carbamoylamino)methyl]-N-(2-methoxyethyl)benzamide
CID 17419919
N-(2,2-difluoroethyl)-N-propyl-1H-indazole-3-carboxamide
CID 60608504
3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
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N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-indazole-3-carboxamide
CID 90653226

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyethyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-benzyl-N-(2-methoxyethyl)-1H-indazole-3-carboxamide (CID 31236371) is N-benzyl-N-(2-methoxyethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-methoxyethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-benzyl-N-(2-methoxyethyl)-1H-indazole-3-carboxamide is COCCN(Cc1ccccc1)C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-benzyl-N-(2-methoxyethyl)-1H-indazole-3-carboxamide?
The InChIKey is JSIUBAIMCVBNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-23-12-11-21(13-14-7-3-2-4-8-14)18(22)17-15-9-5-6-10-16(15)19-20-17/h2-10H,11-13H2,1H3,(H,19,20).
What are the key properties of N-benzyl-N-(2-methoxyethyl)-1H-indazole-3-carboxamide?
N-benzyl-N-(2-methoxyethyl)-1H-indazole-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 31236371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).