N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine

C18H25N3 — CID 61168084

IUPACN-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine
SMILESc1ccc(-n2cccn2)c(CNC2CCCCCCC2)c1
InChIInChI=1S/C18H25N3/c1-2-4-10-17(11-5-3-1)19-15-16-9-6-7-12-18(16)21-14-8-13-20-21/h6-9,12-14,17,19H,1-5,10-11,15H2
InChIKeyTVQWAWXSNQOZMO-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.07
Rot. Bonds4

About N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine

N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine (PubChem CID 61168084) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine.

Molecular Properties

Compound NameN-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine
PubChem CID61168084
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine
SMILESc1ccc(-n2cccn2)c(CNC2CCCCCCC2)c1
InChIInChI=1S/C18H25N3/c1-2-4-10-17(11-5-3-1)19-15-16-9-6-7-12-18(16)21-14-8-13-20-21/h6-9,12-14,17,19H,1-5,10-11,15H2
InChIKeyTVQWAWXSNQOZMO-UHFFFAOYSA-N
XLogP4.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine 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 N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine?
The IUPAC name of N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine (CID 61168084) is N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine.
What is the SMILES notation for N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine?
The canonical SMILES for N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine is c1ccc(-n2cccn2)c(CNC2CCCCCCC2)c1.
What is the InChIKey of N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine?
The InChIKey is TVQWAWXSNQOZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-4-10-17(11-5-3-1)19-15-16-9-6-7-12-18(16)21-14-8-13-20-21/h6-9,12-14,17,19H,1-5,10-11,15H2.
What are the key properties of N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine?
N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine has a molecular weight of 283.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine is sourced from PubChem (CID 61168084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).