[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-methylpyrazol-4-yl]methanamine

C15H29N3O3 — CID 104567537

IUPAC[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-methylpyrazol-4-yl]methanamine
SMILESCCCCOCCOCCOCCn1ncc(CN)c1C
InChIInChI=1S/C15H29N3O3/c1-3-4-6-19-8-10-21-11-9-20-7-5-18-14(2)15(12-16)13-17-18/h13H,3-12,16H2,1-2H3
InChIKeySYQIQYAVCRIHLQ-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.50
Rot. Bonds13

About [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-methylpyrazol-4-yl]methanamine

[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-methylpyrazol-4-yl]methanamine (PubChem CID 104567537) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-methylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-methylpyrazol-4-yl]methanamine
PubChem CID104567537
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-methylpyrazol-4-yl]methanamine
SMILESCCCCOCCOCCOCCn1ncc(CN)c1C
InChIInChI=1S/C15H29N3O3/c1-3-4-6-19-8-10-21-11-9-20-7-5-18-14(2)15(12-16)13-17-18/h13H,3-12,16H2,1-2H3
InChIKeySYQIQYAVCRIHLQ-UHFFFAOYSA-N
XLogP1.50
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-methylpyrazol-4-yl]methanamine?
The IUPAC name of [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-methylpyrazol-4-yl]methanamine (CID 104567537) is [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-methylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-methylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-methylpyrazol-4-yl]methanamine is CCCCOCCOCCOCCn1ncc(CN)c1C.
What is the InChIKey of [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-methylpyrazol-4-yl]methanamine?
The InChIKey is SYQIQYAVCRIHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-3-4-6-19-8-10-21-11-9-20-7-5-18-14(2)15(12-16)13-17-18/h13H,3-12,16H2,1-2H3.
What are the key properties of [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-methylpyrazol-4-yl]methanamine?
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-methylpyrazol-4-yl]methanamine has a molecular weight of 299.42 g/mol, XLogP of 1.50, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-5-methylpyrazol-4-yl]methanamine is sourced from PubChem (CID 104567537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).