N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-pyrazol-1-ylpyridin-3-amine

C17H20N4 — CID 43783964

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-pyrazol-1-ylpyridin-3-amine
SMILESCC(Nc1ccc(-n2cccn2)nc1)C1CC2C=CC1C2
InChIInChI=1S/C17H20N4/c1-12(16-10-13-3-4-14(16)9-13)20-15-5-6-17(18-11-15)21-8-2-7-19-21/h2-8,11-14,16,20H,9-10H2,1H3
InChIKeyMZFQVBRKZSAMML-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.28
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-pyrazol-1-ylpyridin-3-amine

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-pyrazol-1-ylpyridin-3-amine (PubChem CID 43783964) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-pyrazol-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-pyrazol-1-ylpyridin-3-amine
PubChem CID43783964
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-pyrazol-1-ylpyridin-3-amine
SMILESCC(Nc1ccc(-n2cccn2)nc1)C1CC2C=CC1C2
InChIInChI=1S/C17H20N4/c1-12(16-10-13-3-4-14(16)9-13)20-15-5-6-17(18-11-15)21-8-2-7-19-21/h2-8,11-14,16,20H,9-10H2,1H3
InChIKeyMZFQVBRKZSAMML-UHFFFAOYSA-N
XLogP3.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-pyrazol-1-ylpyridin-3-amine 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

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43782808
N-(3,5-dimethylcyclohexyl)-6-pyrazol-1-ylpyridin-3-amine
CID 64750963
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]quinolin-3-amine
CID 43782750
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-methoxyaniline
CID 43766014
N-(1-phenylpropyl)-6-pyrazol-1-ylpyridin-3-amine
CID 43704473
N-heptan-2-yl-6-pyrazol-1-ylpyridin-3-amine
CID 43704213
4-[(6-pyrazol-1-yl-3-pyridinyl)amino]cyclohexan-1-ol
CID 106593874
1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 94167183
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
N-[1-(3-methylthiophen-2-yl)ethyl]-6-pyrazol-1-ylpyridin-3-amine
CID 63993044
6-pyrazol-1-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine
CID 79911435
1-(6-pyrazol-1-yl-3-pyridinyl)ethanamine
CID 115563158

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-pyrazol-1-ylpyridin-3-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-pyrazol-1-ylpyridin-3-amine (CID 43783964) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-pyrazol-1-ylpyridin-3-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-pyrazol-1-ylpyridin-3-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-pyrazol-1-ylpyridin-3-amine is CC(Nc1ccc(-n2cccn2)nc1)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-pyrazol-1-ylpyridin-3-amine?
The InChIKey is MZFQVBRKZSAMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-12(16-10-13-3-4-14(16)9-13)20-15-5-6-17(18-11-15)21-8-2-7-19-21/h2-8,11-14,16,20H,9-10H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-pyrazol-1-ylpyridin-3-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-pyrazol-1-ylpyridin-3-amine has a molecular weight of 280.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-pyrazol-1-ylpyridin-3-amine is sourced from PubChem (CID 43783964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).