N-(3-methoxypropyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide

C14H23N3O2 — CID 5307796

IUPACN-(3-methoxypropyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCOCCCNC(=O)Cn1cc2c(n1)CCC(C)C2
InChIInChI=1S/C14H23N3O2/c1-11-4-5-13-12(8-11)9-17(16-13)10-14(18)15-6-3-7-19-2/h9,11H,3-8,10H2,1-2H3,(H,15,18)
InChIKeyZXFSFNKIMCEDAQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.16
Rot. Bonds6

About N-(3-methoxypropyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-(3-methoxypropyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5307796) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5307796
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(3-methoxypropyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCOCCCNC(=O)Cn1cc2c(n1)CCC(C)C2
InChIInChI=1S/C14H23N3O2/c1-11-4-5-13-12(8-11)9-17(16-13)10-14(18)15-6-3-7-19-2/h9,11H,3-8,10H2,1-2H3,(H,15,18)
InChIKeyZXFSFNKIMCEDAQ-UHFFFAOYSA-N
XLogP1.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide
CID 5307336
N-(2,3-dimethylcyclohexyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307420
N-[2-(cyclohexen-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307608
1-(Azepan-1-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone
CID 5308236
Ethyl 4-[[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 5308852
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309025
N-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309109
2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-(3-propylsulfanylpropyl)acetamide
CID 5309215
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5309220
N-(4-methylcyclohexyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309319
2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 5309454
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309687

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5307796) is N-(3-methoxypropyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is COCCCNC(=O)Cn1cc2c(n1)CCC(C)C2.
What is the InChIKey of N-(3-methoxypropyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is ZXFSFNKIMCEDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-4-5-13-12(8-11)9-17(16-13)10-14(18)15-6-3-7-19-2/h9,11H,3-8,10H2,1-2H3,(H,15,18).
What are the key properties of N-(3-methoxypropyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-(3-methoxypropyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5307796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).