3-tert-butyl-1-(2-ethoxyethyl)pyrazol-5-amine

C11H21N3O — CID 121222599

IUPAC3-tert-butyl-1-(2-ethoxyethyl)pyrazol-5-amine
SMILESCCOCCn1nc(C(C)(C)C)cc1N
InChIInChI=1S/C11H21N3O/c1-5-15-7-6-14-10(12)8-9(13-14)11(2,3)4/h8H,5-7,12H2,1-4H3
InChIKeyKLQKFCPRUIHETP-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.80
Rot. Bonds4

About 3-tert-butyl-1-(2-ethoxyethyl)pyrazol-5-amine

3-tert-butyl-1-(2-ethoxyethyl)pyrazol-5-amine (PubChem CID 121222599) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-tert-butyl-1-(2-ethoxyethyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1-(2-ethoxyethyl)pyrazol-5-amine
PubChem CID121222599
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-tert-butyl-1-(2-ethoxyethyl)pyrazol-5-amine
SMILESCCOCCn1nc(C(C)(C)C)cc1N
InChIInChI=1S/C11H21N3O/c1-5-15-7-6-14-10(12)8-9(13-14)11(2,3)4/h8H,5-7,12H2,1-4H3
InChIKeyKLQKFCPRUIHETP-UHFFFAOYSA-N
XLogP1.80
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.80
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 3-tert-butyl-1-(2-ethoxyethyl)pyrazol-5-amine?
The IUPAC name of 3-tert-butyl-1-(2-ethoxyethyl)pyrazol-5-amine (CID 121222599) is 3-tert-butyl-1-(2-ethoxyethyl)pyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1-(2-ethoxyethyl)pyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-1-(2-ethoxyethyl)pyrazol-5-amine is CCOCCn1nc(C(C)(C)C)cc1N.
What is the InChIKey of 3-tert-butyl-1-(2-ethoxyethyl)pyrazol-5-amine?
The InChIKey is KLQKFCPRUIHETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-15-7-6-14-10(12)8-9(13-14)11(2,3)4/h8H,5-7,12H2,1-4H3.
What are the key properties of 3-tert-butyl-1-(2-ethoxyethyl)pyrazol-5-amine?
3-tert-butyl-1-(2-ethoxyethyl)pyrazol-5-amine has a molecular weight of 211.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2-ethoxyethyl)pyrazol-5-amine is sourced from PubChem (CID 121222599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).