N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-2-pyrazol-1-ylacetamide

C14H19N3O — CID 28733624

IUPACN-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCC[C@@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C14H19N3O/c18-14(10-17-7-1-5-16-17)15-6-4-13-9-11-2-3-12(13)8-11/h1-3,5,7,11-13H,4,6,8-10H2,(H,15,18)/t11-,12+,13-/m1/s1
InChIKeyZLOMRRVQSNPZKT-FRRDWIJNSA-N
MW245.33 g/mol
LogP1.60
Rot. Bonds5

About N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-2-pyrazol-1-ylacetamide

N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-2-pyrazol-1-ylacetamide (PubChem CID 28733624) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-2-pyrazol-1-ylacetamide
PubChem CID28733624
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCC[C@@H]1C[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C14H19N3O/c18-14(10-17-7-1-5-16-17)15-6-4-13-9-11-2-3-12(13)8-11/h1-3,5,7,11-13H,4,6,8-10H2,(H,15,18)/t11-,12+,13-/m1/s1
InChIKeyZLOMRRVQSNPZKT-FRRDWIJNSA-N
XLogP1.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.60
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 N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-2-pyrazol-1-ylacetamide (CID 28733624) is N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)NCC[C@@H]1C[C@@H]2C=C[C@H]1C2.
What is the InChIKey of N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-2-pyrazol-1-ylacetamide?
The InChIKey is ZLOMRRVQSNPZKT-FRRDWIJNSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14(10-17-7-1-5-16-17)15-6-4-13-9-11-2-3-12(13)8-11/h1-3,5,7,11-13H,4,6,8-10H2,(H,15,18)/t11-,12+,13-/m1/s1.
What are the key properties of N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-2-pyrazol-1-ylacetamide?
N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-2-pyrazol-1-ylacetamide has a molecular weight of 245.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 28733624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).