N-ethoxy-2-pyrazol-1-ylethanamine

C7H13N3O — CID 62067950

IUPACN-ethoxy-2-pyrazol-1-ylethanamine
SMILESCCONCCn1cccn1
InChIInChI=1S/C7H13N3O/c1-2-11-9-5-7-10-6-3-4-8-10/h3-4,6,9H,2,5,7H2,1H3
InChIKeyBTOXMVVKRRZPLU-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.42
Rot. Bonds5

About N-ethoxy-2-pyrazol-1-ylethanamine

N-ethoxy-2-pyrazol-1-ylethanamine (PubChem CID 62067950) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-ethoxy-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-ethoxy-2-pyrazol-1-ylethanamine
PubChem CID62067950
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-ethoxy-2-pyrazol-1-ylethanamine
SMILESCCONCCn1cccn1
InChIInChI=1S/C7H13N3O/c1-2-11-9-5-7-10-6-3-4-8-10/h3-4,6,9H,2,5,7H2,1H3
InChIKeyBTOXMVVKRRZPLU-UHFFFAOYSA-N
XLogP0.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 63932971
N-(2-pyrazol-1-ylethyl)pentan-1-amine
CID 61459569
N-(2-pyrazol-1-ylethyl)but-2-yn-1-amine
CID 62312530
N-(2-pyrazol-1-ylethyl)heptan-4-amine
CID 61460010
N-(2-pyrazol-1-ylethyl)nonan-1-amine
CID 61463027
N-(2-iodoethyl)-2-pyrazol-1-ylethanamine
CID 114505529
N-ethoxy-2-pyrazol-1-ylacetamide
CID 60700858
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 65025560
1-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61463069
1-propyl-3-(2-pyrazol-1-ylethyl)thiourea
CID 115590289
2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine
CID 61459650

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-pyrazol-1-ylethanamine?
The IUPAC name of N-ethoxy-2-pyrazol-1-ylethanamine (CID 62067950) is N-ethoxy-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-ethoxy-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-ethoxy-2-pyrazol-1-ylethanamine is CCONCCn1cccn1.
What is the InChIKey of N-ethoxy-2-pyrazol-1-ylethanamine?
The InChIKey is BTOXMVVKRRZPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-2-11-9-5-7-10-6-3-4-8-10/h3-4,6,9H,2,5,7H2,1H3.
What are the key properties of N-ethoxy-2-pyrazol-1-ylethanamine?
N-ethoxy-2-pyrazol-1-ylethanamine has a molecular weight of 155.20 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 62067950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).