N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide

C14H23N3O2 — CID 5309509

IUPACN-(3-methoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
SMILESCOCCCNC(=O)Cn1cc2c(n1)CCCCC2
InChIInChI=1S/C14H23N3O2/c1-19-9-5-8-15-14(18)11-17-10-12-6-3-2-4-7-13(12)16-17/h10H,2-9,11H2,1H3,(H,15,18)
InChIKeyGGMJTZCAIMNPRO-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.30
Rot. Bonds6

About N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide

N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide (PubChem CID 5309509) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
PubChem CID5309509
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(3-methoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
SMILESCOCCCNC(=O)Cn1cc2c(n1)CCCCC2
InChIInChI=1S/C14H23N3O2/c1-19-9-5-8-15-14(18)11-17-10-12-6-3-2-4-7-13(12)16-17/h10H,2-9,11H2,1H3,(H,15,18)
InChIKeyGGMJTZCAIMNPRO-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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-(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-(2-methoxyethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5308130
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
N-cycloheptyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5309486

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide (CID 5309509) is N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide is COCCCNC(=O)Cn1cc2c(n1)CCCCC2.
What is the InChIKey of N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The InChIKey is GGMJTZCAIMNPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-19-9-5-8-15-14(18)11-17-10-12-6-3-2-4-7-13(12)16-17/h10H,2-9,11H2,1H3,(H,15,18).
What are the key properties of N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.30, 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-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide is sourced from PubChem (CID 5309509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).