N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

C17H23N3O3 — CID 73250913

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)C1NNC2CCCCC21
InChIInChI=1S/C17H23N3O3/c1-20(9-11-6-7-14-15(8-11)23-10-22-14)17(21)16-12-4-2-3-5-13(12)18-19-16/h6-8,12-13,16,18-19H,2-5,9-10H2,1H3
InChIKeyRIDWEKZCTRGGJG-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.41
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 73250913) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID73250913
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)C1NNC2CCCCC21
InChIInChI=1S/C17H23N3O3/c1-20(9-11-6-7-14-15(8-11)23-10-22-14)17(21)16-12-4-2-3-5-13(12)18-19-16/h6-8,12-13,16,18-19H,2-5,9-10H2,1H3
InChIKeyRIDWEKZCTRGGJG-UHFFFAOYSA-N
XLogP1.41
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 60655395
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CID 78801154
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide
CID 78800834
N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388521
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N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
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CID 39952466
1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 32544635
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1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94030634
N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoro-N-methylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 73250913) is N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is CN(Cc1ccc2c(c1)OCO2)C(=O)C1NNC2CCCCC21.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is RIDWEKZCTRGGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-20(9-11-6-7-14-15(8-11)23-10-22-14)17(21)16-12-4-2-3-5-13(12)18-19-16/h6-8,12-13,16,18-19H,2-5,9-10H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 73250913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).