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

C15H23N3 — CID 43791849

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NC(C)C1CC2C=CC1C2
InChIInChI=1S/C15H23N3/c1-11(10-18-7-3-6-16-18)17-12(2)15-9-13-4-5-14(15)8-13/h3-7,11-15,17H,8-10H2,1-2H3
InChIKeyJGFRBQFWTSLQQL-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.46
Rot. Bonds5

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

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 43791849) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID43791849
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NC(C)C1CC2C=CC1C2
InChIInChI=1S/C15H23N3/c1-11(10-18-7-3-6-16-18)17-12(2)15-9-13-4-5-14(15)8-13/h3-7,11-15,17H,8-10H2,1-2H3
InChIKeyJGFRBQFWTSLQQL-UHFFFAOYSA-N
XLogP2.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-ethylpyrazol-4-amine
CID 93112105
(2S)-N-[(4-propylcyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 97098143
N-(cyclohex-3-en-1-ylmethyl)-4-pyrazol-1-ylbutan-2-amine
CID 121515078
2-tert-butyl-N-(2-pyrazol-1-ylethyl)cyclohexan-1-amine
CID 54951172
1-((1R,2R,4R)-bicyclo[2.2.1]hept-5-en-2-ylmethyl)-1H-pyrazole
CID 86681304
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyrazole
CID 89497887
1-[[(2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyrazole
CID 89497888
1-[2-[(1R,2R)-2-ethenyl-2,3-dimethylcyclopentyl]prop-2-enyl]pyrazole
CID 170191307
N-{2-[(1S*,2S*,4S*)-bicyclo[2.2.1]hept-5-en-2-yl]ethyl}-2-(1H-pyrazol-1-yl)acetamide
CID 28733624
N-(cyclohex-3-en-1-ylmethyl)-1-pyrazol-1-ylpropan-2-amine
CID 43435077
N-(cyclohexylmethyl)-1-pyrazol-1-ylpropan-2-amine
CID 43435092
4-(2-methylbutan-2-yl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclohexan-1-amine
CID 43435105

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-pyrazol-1-ylpropan-2-amine (CID 43791849) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-pyrazol-1-ylpropan-2-amine is CC(Cn1cccn1)NC(C)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is JGFRBQFWTSLQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11(10-18-7-3-6-16-18)17-12(2)15-9-13-4-5-14(15)8-13/h3-7,11-15,17H,8-10H2,1-2H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-pyrazol-1-ylpropan-2-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 245.37 g/mol, XLogP of 2.46, 5 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-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 43791849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).