N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine

C16H23N3O — CID 43790960

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESC1=CC2CC1CC2CNc1cnn(CC2CCCO2)c1
InChIInChI=1S/C16H23N3O/c1-2-16(20-5-1)11-19-10-15(9-18-19)17-8-14-7-12-3-4-13(14)6-12/h3-4,9-10,12-14,16-17H,1-2,5-8,11H2
InChIKeyKYAWTVZNLGQKOE-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.69
Rot. Bonds5

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine (PubChem CID 43790960) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
PubChem CID43790960
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESC1=CC2CC1CC2CNc1cnn(CC2CCCO2)c1
InChIInChI=1S/C16H23N3O/c1-2-16(20-5-1)11-19-10-15(9-18-19)17-8-14-7-12-3-4-13(14)6-12/h3-4,9-10,12-14,16-17H,1-2,5-8,11H2
InChIKeyKYAWTVZNLGQKOE-UHFFFAOYSA-N
XLogP2.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine (CID 43790960) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine is C1=CC2CC1CC2CNc1cnn(CC2CCCO2)c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The InChIKey is KYAWTVZNLGQKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-16(20-5-1)11-19-10-15(9-18-19)17-8-14-7-12-3-4-13(14)6-12/h3-4,9-10,12-14,16-17H,1-2,5-8,11H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 43790960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).