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

C13H19N3 — CID 60808504

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylpyrazol-3-amine
SMILESCC(Nc1ccn(C)n1)C1CC2C=CC1C2
InChIInChI=1S/C13H19N3/c1-9(14-13-5-6-16(2)15-13)12-8-10-3-4-11(12)7-10/h3-6,9-12H,7-8H2,1-2H3,(H,14,15)
InChIKeyGMZDLYRHVYLKKO-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.43
Rot. Bonds3

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

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylpyrazol-3-amine (PubChem CID 60808504) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylpyrazol-3-amine
PubChem CID60808504
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylpyrazol-3-amine
SMILESCC(Nc1ccn(C)n1)C1CC2C=CC1C2
InChIInChI=1S/C13H19N3/c1-9(14-13-5-6-16(2)15-13)12-8-10-3-4-11(12)7-10/h3-6,9-12H,7-8H2,1-2H3,(H,14,15)
InChIKeyGMZDLYRHVYLKKO-UHFFFAOYSA-N
XLogP2.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylpyrazol-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-Methylpyrazol-3-YL)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 45852184
2-(2-Bicyclo[2.2.1]hept-5-enylmethyl)pyrazol-3-amine
CID 67515873
2-(1-Methyl-5-propan-2-ylcyclohex-3-en-1-yl)pyrazol-3-amine
CID 89482608
1-methyl-N-(3-propan-2-ylcyclobutyl)pyrazol-3-amine
CID 103561602
1-methyl-N-[[(2S)-2-methylcyclopentyl]methyl]pyrazol-3-amine
CID 130224851
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1H-pyrazol-5-amine
CID 140621990
1-methyl-N-[[(1R,4S)-1-methyl-2-bicyclo[2.2.1]heptanyl]methyl]pyrazol-3-amine
CID 170396241
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-pyrazol-1-ylpropan-2-amine
CID 43791836
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-pyrazol-1-ylpropan-2-amine
CID 43791849
1-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)pyrazol-3-amine
CID 54921328
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 54951230
1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-3-amine
CID 60808172

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylpyrazol-3-amine (CID 60808504) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylpyrazol-3-amine is CC(Nc1ccn(C)n1)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylpyrazol-3-amine?
The InChIKey is GMZDLYRHVYLKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9(14-13-5-6-16(2)15-13)12-8-10-3-4-11(12)7-10/h3-6,9-12H,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylpyrazol-3-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylpyrazol-3-amine has a molecular weight of 217.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 60808504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).