2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyrazol-3-amine

C11H15N3 — CID 67515873

IUPAC2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyrazol-3-amine
SMILESNc1ccnn1CC1CC2C=CC1C2
InChIInChI=1S/C11H15N3/c12-11-3-4-13-14(11)7-10-6-8-1-2-9(10)5-8/h1-4,8-10H,5-7,12H2
InChIKeyYQVZWLFMSGNHEY-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.68
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyrazol-3-amine

2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyrazol-3-amine (PubChem CID 67515873) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyrazol-3-amine
PubChem CID67515873
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyrazol-3-amine
SMILESNc1ccnn1CC1CC2C=CC1C2
InChIInChI=1S/C11H15N3/c12-11-3-4-13-14(11)7-10-6-8-1-2-9(10)5-8/h1-4,8-10H,5-7,12H2
InChIKeyYQVZWLFMSGNHEY-UHFFFAOYSA-N
XLogP1.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyrazol-3-amine?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyrazol-3-amine (CID 67515873) is 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyrazol-3-amine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyrazol-3-amine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyrazol-3-amine is Nc1ccnn1CC1CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyrazol-3-amine?
The InChIKey is YQVZWLFMSGNHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c12-11-3-4-13-14(11)7-10-6-8-1-2-9(10)5-8/h1-4,8-10H,5-7,12H2.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyrazol-3-amine?
2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyrazol-3-amine has a molecular weight of 189.26 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyrazol-3-amine is sourced from PubChem (CID 67515873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).