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

C14H21N3 — CID 43791836

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCC1CC2C=CC1C2
InChIInChI=1S/C14H21N3/c1-11(10-17-6-2-5-16-17)15-9-14-8-12-3-4-13(14)7-12/h2-6,11-15H,7-10H2,1H3
InChIKeyVSICDSWMDPAPKL-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.07
Rot. Bonds5

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

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-pyrazol-1-ylpropan-2-amine (PubChem CID 43791836) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-pyrazol-1-ylpropan-2-amine
PubChem CID43791836
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCC1CC2C=CC1C2
InChIInChI=1S/C14H21N3/c1-11(10-17-6-2-5-16-17)15-9-14-8-12-3-4-13(14)7-12/h2-6,11-15H,7-10H2,1H3
InChIKeyVSICDSWMDPAPKL-UHFFFAOYSA-N
XLogP2.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-pyrazol-1-ylpropan-2-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-[[(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
N-[(3,3-difluorocyclopentyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 114150613
N-[(3,3-difluorocyclohexyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 114223765
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-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-methylpyrazole
CID 89498583
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-methylpyrazole
CID 89498584
1-[[(2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-methylpyrazole
CID 89498585

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-pyrazol-1-ylpropan-2-amine (CID 43791836) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-pyrazol-1-ylpropan-2-amine is CC(Cn1cccn1)NCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is VSICDSWMDPAPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11(10-17-6-2-5-16-17)15-9-14-8-12-3-4-13(14)7-12/h2-6,11-15H,7-10H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-pyrazol-1-ylpropan-2-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 231.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 43791836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).