5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine

C12H24N4O — CID 66012649

IUPAC5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCCCOCCNc1c(N)c(C)nn1CC
InChIInChI=1S/C12H24N4O/c1-4-6-8-17-9-7-14-12-11(13)10(3)15-16(12)5-2/h14H,4-9,13H2,1-3H3
InChIKeyLRXMEPZNSWSMJO-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.02
Rot. Bonds8

About 5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine

5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine (PubChem CID 66012649) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
PubChem CID66012649
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCCCOCCNc1c(N)c(C)nn1CC
InChIInChI=1S/C12H24N4O/c1-4-6-8-17-9-7-14-12-11(13)10(3)15-16(12)5-2/h14H,4-9,13H2,1-3H3
InChIKeyLRXMEPZNSWSMJO-UHFFFAOYSA-N
XLogP2.02
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine (CID 66012649) is 5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine is CCCCOCCNc1c(N)c(C)nn1CC.
What is the InChIKey of 5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
The InChIKey is LRXMEPZNSWSMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-4-6-8-17-9-7-14-12-11(13)10(3)15-16(12)5-2/h14H,4-9,13H2,1-3H3.
What are the key properties of 5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine has a molecular weight of 240.35 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66012649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).