N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide

C17H21N3O2 — CID 31897688

IUPACN-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C17H21N3O2/c1-22-12-17(21)19-15-8-5-9-16-14(15)10-18-20(16)11-13-6-3-2-4-7-13/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyIAMIHWRHJDXNGF-HNNXBMFYSA-N
MW299.37 g/mol
LogP2.07
Rot. Bonds5

About N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide

N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide (PubChem CID 31897688) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
PubChem CID31897688
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1
InChIInChI=1S/C17H21N3O2/c1-22-12-17(21)19-15-8-5-9-16-14(15)10-18-20(16)11-13-6-3-2-4-7-13/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyIAMIHWRHJDXNGF-HNNXBMFYSA-N
XLogP2.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide
CID 46402155
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 46402085
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(6-oxopiperidin-2-yl)propanamide
CID 167746657
N-[4-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-4-oxobutan-2-yl]benzamide
CID 55622490
1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
CID 94187302
3-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 166180370
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methoxy-2-(oxan-4-yl)acetamide
CID 167830345
N-[2-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 46416506
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(3,4-dimethylphenoxy)propanamide
CID 31901256
1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea
CID 51939747
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 86989860

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide (CID 31897688) is N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide is COCC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1.
What is the InChIKey of N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide?
The InChIKey is IAMIHWRHJDXNGF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-22-12-17(21)19-15-8-5-9-16-14(15)10-18-20(16)11-13-6-3-2-4-7-13/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide?
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide has a molecular weight of 299.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 31897688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).