N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine

C15H23N3O — CID 43787744

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NC(C)C2CC3C=CC2C3)cn1
InChIInChI=1S/C15H23N3O/c1-11(15-8-12-3-4-13(15)7-12)17-14-9-16-18(10-14)5-6-19-2/h3-4,9-13,15,17H,5-8H2,1-2H3
InChIKeyKKUHEGNYIXKEQQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.54
Rot. Bonds6

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine (PubChem CID 43787744) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
PubChem CID43787744
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NC(C)C2CC3C=CC2C3)cn1
InChIInChI=1S/C15H23N3O/c1-11(15-8-12-3-4-13(15)7-12)17-14-9-16-18(10-14)5-6-19-2/h3-4,9-13,15,17H,5-8H2,1-2H3
InChIKeyKKUHEGNYIXKEQQ-UHFFFAOYSA-N
XLogP2.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.54
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-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine (CID 43787744) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine is COCCn1cc(NC(C)C2CC3C=CC2C3)cn1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The InChIKey is KKUHEGNYIXKEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(15-8-12-3-4-13(15)7-12)17-14-9-16-18(10-14)5-6-19-2/h3-4,9-13,15,17H,5-8H2,1-2H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine has a molecular weight of 261.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 43787744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).