N-(2-methoxyethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide

C13H21N3O2 — CID 5308130

IUPACN-(2-methoxyethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
SMILESCOCCNC(=O)Cn1cc2c(n1)CCCCC2
InChIInChI=1S/C13H21N3O2/c1-18-8-7-14-13(17)10-16-9-11-5-3-2-4-6-12(11)15-16/h9H,2-8,10H2,1H3,(H,14,17)
InChIKeyOWUUPESOTAAHDA-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.91
Rot. Bonds5

About N-(2-methoxyethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide

N-(2-methoxyethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide (PubChem CID 5308130) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
PubChem CID5308130
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(2-methoxyethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
SMILESCOCCNC(=O)Cn1cc2c(n1)CCCCC2
InChIInChI=1S/C13H21N3O2/c1-18-8-7-14-13(17)10-16-9-11-5-3-2-4-6-12(11)15-16/h9H,2-8,10H2,1H3,(H,14,17)
InChIKeyOWUUPESOTAAHDA-UHFFFAOYSA-N
XLogP0.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.91
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

ethyl 4-[[2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 5308521
N-(3-morpholin-4-ylpropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5309028
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5309220
2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 5309454
N-(2-morpholin-4-ylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5309690
N-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307472
N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5309509
N-(2,3-dimethylcyclohexyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5307263
N-(3-ethoxypropyl)-2-[5,6,7,8-tetrahydrocyclohepta[c]pyrazol-2(4H)-yl]acetamide
CID 5307642
N-(3-methoxypropyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307796
N-(3-ethoxypropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5308149
1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone
CID 5308516

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide (CID 5308130) is N-(2-methoxyethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide is COCCNC(=O)Cn1cc2c(n1)CCCCC2.
What is the InChIKey of N-(2-methoxyethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The InChIKey is OWUUPESOTAAHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-18-8-7-14-13(17)10-16-9-11-5-3-2-4-6-12(11)15-16/h9H,2-8,10H2,1H3,(H,14,17).
What are the key properties of N-(2-methoxyethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
N-(2-methoxyethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide is sourced from PubChem (CID 5308130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).