4-tert-butyl-N-(2-methoxyethyl)-N-methyl-1H-pyrazol-5-amine

C11H21N3O — CID 58477477

IUPAC4-tert-butyl-N-(2-methoxyethyl)-N-methyl-1H-pyrazol-5-amine
SMILESCOCCN(C)c1[nH]ncc1C(C)(C)C
InChIInChI=1S/C11H21N3O/c1-11(2,3)9-8-12-13-10(9)14(4)6-7-15-5/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyXHKMNKFWFDAEJY-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.79
Rot. Bonds4

About 4-tert-butyl-N-(2-methoxyethyl)-N-methyl-1H-pyrazol-5-amine

4-tert-butyl-N-(2-methoxyethyl)-N-methyl-1H-pyrazol-5-amine (PubChem CID 58477477) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-methoxyethyl)-N-methyl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(2-methoxyethyl)-N-methyl-1H-pyrazol-5-amine
PubChem CID58477477
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-tert-butyl-N-(2-methoxyethyl)-N-methyl-1H-pyrazol-5-amine
SMILESCOCCN(C)c1[nH]ncc1C(C)(C)C
InChIInChI=1S/C11H21N3O/c1-11(2,3)9-8-12-13-10(9)14(4)6-7-15-5/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyXHKMNKFWFDAEJY-UHFFFAOYSA-N
XLogP1.79
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-methoxyethyl)-N-methyl-1H-pyrazol-5-amine?
The IUPAC name of 4-tert-butyl-N-(2-methoxyethyl)-N-methyl-1H-pyrazol-5-amine (CID 58477477) is 4-tert-butyl-N-(2-methoxyethyl)-N-methyl-1H-pyrazol-5-amine.
What is the SMILES notation for 4-tert-butyl-N-(2-methoxyethyl)-N-methyl-1H-pyrazol-5-amine?
The canonical SMILES for 4-tert-butyl-N-(2-methoxyethyl)-N-methyl-1H-pyrazol-5-amine is COCCN(C)c1[nH]ncc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-(2-methoxyethyl)-N-methyl-1H-pyrazol-5-amine?
The InChIKey is XHKMNKFWFDAEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(2,3)9-8-12-13-10(9)14(4)6-7-15-5/h8H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 4-tert-butyl-N-(2-methoxyethyl)-N-methyl-1H-pyrazol-5-amine?
4-tert-butyl-N-(2-methoxyethyl)-N-methyl-1H-pyrazol-5-amine has a molecular weight of 211.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-methoxyethyl)-N-methyl-1H-pyrazol-5-amine is sourced from PubChem (CID 58477477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).