1-(2-butoxyethyl)-3,5-diethylpyrazol-4-amine

C13H25N3O — CID 82702120

IUPAC1-(2-butoxyethyl)-3,5-diethylpyrazol-4-amine
SMILESCCCCOCCn1nc(CC)c(N)c1CC
InChIInChI=1S/C13H25N3O/c1-4-7-9-17-10-8-16-12(6-3)13(14)11(5-2)15-16/h4-10,14H2,1-3H3
InChIKeyGFCITRVJQXWKHQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.41
Rot. Bonds8

About 1-(2-butoxyethyl)-3,5-diethylpyrazol-4-amine

1-(2-butoxyethyl)-3,5-diethylpyrazol-4-amine (PubChem CID 82702120) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-3,5-diethylpyrazol-4-amine.

Molecular Properties

Compound Name1-(2-butoxyethyl)-3,5-diethylpyrazol-4-amine
PubChem CID82702120
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(2-butoxyethyl)-3,5-diethylpyrazol-4-amine
SMILESCCCCOCCn1nc(CC)c(N)c1CC
InChIInChI=1S/C13H25N3O/c1-4-7-9-17-10-8-16-12(6-3)13(14)11(5-2)15-16/h4-10,14H2,1-3H3
InChIKeyGFCITRVJQXWKHQ-UHFFFAOYSA-N
XLogP2.41
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-3,5-diethylpyrazol-4-amine?
The IUPAC name of 1-(2-butoxyethyl)-3,5-diethylpyrazol-4-amine (CID 82702120) is 1-(2-butoxyethyl)-3,5-diethylpyrazol-4-amine.
What is the SMILES notation for 1-(2-butoxyethyl)-3,5-diethylpyrazol-4-amine?
The canonical SMILES for 1-(2-butoxyethyl)-3,5-diethylpyrazol-4-amine is CCCCOCCn1nc(CC)c(N)c1CC.
What is the InChIKey of 1-(2-butoxyethyl)-3,5-diethylpyrazol-4-amine?
The InChIKey is GFCITRVJQXWKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-7-9-17-10-8-16-12(6-3)13(14)11(5-2)15-16/h4-10,14H2,1-3H3.
What are the key properties of 1-(2-butoxyethyl)-3,5-diethylpyrazol-4-amine?
1-(2-butoxyethyl)-3,5-diethylpyrazol-4-amine has a molecular weight of 239.36 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-3,5-diethylpyrazol-4-amine is sourced from PubChem (CID 82702120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).