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

C15H19N3OS — CID 5307450

IUPAC2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCCC2)NCc1cccs1
InChIInChI=1S/C15H19N3OS/c19-15(16-9-13-6-4-8-20-13)11-18-10-12-5-2-1-3-7-14(12)17-18/h4,6,8,10H,1-3,5,7,9,11H2,(H,16,19)
InChIKeyWBLDLXHWLBZWIV-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.53
Rot. Bonds4

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

2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 5307450) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID5307450
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCCC2)NCc1cccs1
InChIInChI=1S/C15H19N3OS/c19-15(16-9-13-6-4-8-20-13)11-18-10-12-5-2-1-3-7-14(12)17-18/h4,6,8,10H,1-3,5,7,9,11H2,(H,16,19)
InChIKeyWBLDLXHWLBZWIV-UHFFFAOYSA-N
XLogP2.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 5307450) is 2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1cc2c(n1)CCCCC2)NCc1cccs1.
What is the InChIKey of 2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is WBLDLXHWLBZWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c19-15(16-9-13-6-4-8-20-13)11-18-10-12-5-2-1-3-7-14(12)17-18/h4,6,8,10H,1-3,5,7,9,11H2,(H,16,19).
What are the key properties of 2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 289.40 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 5307450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).