1-ethyl-3-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazol-4-amine

C12H23N3O2 — CID 112587047

IUPAC1-ethyl-3-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazol-4-amine
SMILESCCn1nc(C)c(N)c1OCCOC(C)(C)C
InChIInChI=1S/C12H23N3O2/c1-6-15-11(10(13)9(2)14-15)16-7-8-17-12(3,4)5/h6-8,13H2,1-5H3
InChIKeyWYVHHGJOYOXMHB-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.99
Rot. Bonds5

About 1-ethyl-3-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazol-4-amine

1-ethyl-3-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazol-4-amine (PubChem CID 112587047) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazol-4-amine
PubChem CID112587047
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-ethyl-3-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazol-4-amine
SMILESCCn1nc(C)c(N)c1OCCOC(C)(C)C
InChIInChI=1S/C12H23N3O2/c1-6-15-11(10(13)9(2)14-15)16-7-8-17-12(3,4)5/h6-8,13H2,1-5H3
InChIKeyWYVHHGJOYOXMHB-UHFFFAOYSA-N
XLogP1.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
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 1-ethyl-3-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazol-4-amine?
The IUPAC name of 1-ethyl-3-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazol-4-amine (CID 112587047) is 1-ethyl-3-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-3-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-3-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazol-4-amine is CCn1nc(C)c(N)c1OCCOC(C)(C)C.
What is the InChIKey of 1-ethyl-3-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazol-4-amine?
The InChIKey is WYVHHGJOYOXMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-6-15-11(10(13)9(2)14-15)16-7-8-17-12(3,4)5/h6-8,13H2,1-5H3.
What are the key properties of 1-ethyl-3-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazol-4-amine?
1-ethyl-3-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazol-4-amine has a molecular weight of 241.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrazol-4-amine is sourced from PubChem (CID 112587047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).