2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-amine

C11H21N3O2 — CID 114661194

IUPAC2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-amine
SMILESCOc1cnn(C)c1C(N)C(OC)C(C)C
InChIInChI=1S/C11H21N3O2/c1-7(2)11(16-5)9(12)10-8(15-4)6-13-14(10)3/h6-7,9,11H,12H2,1-5H3
InChIKeyOEQABSOIMIMYFK-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.10
Rot. Bonds5

About 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-amine

2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-amine (PubChem CID 114661194) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-amine
PubChem CID114661194
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-amine
SMILESCOc1cnn(C)c1C(N)C(OC)C(C)C
InChIInChI=1S/C11H21N3O2/c1-7(2)11(16-5)9(12)10-8(15-4)6-13-14(10)3/h6-7,9,11H,12H2,1-5H3
InChIKeyOEQABSOIMIMYFK-UHFFFAOYSA-N
XLogP1.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine
CID 114651682
1-(4-methoxy-1-methylpyrazol-5-yl)ethylhydrazine
CID 105201324
2-cyclohexyl-2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114662095
(4-methoxy-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanamine
CID 114646467
cyclopropyl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114646874
2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114645393
1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylbutan-1-amine
CID 105047114
(4-methoxy-1-methylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105046927
1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
CID 105047205
(2,5-dimethylfuran-3-yl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047134
1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105047246
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-amine
CID 114661186

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-amine?
The IUPAC name of 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-amine (CID 114661194) is 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-amine?
The canonical SMILES for 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-amine is COc1cnn(C)c1C(N)C(OC)C(C)C.
What is the InChIKey of 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-amine?
The InChIKey is OEQABSOIMIMYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-7(2)11(16-5)9(12)10-8(15-4)6-13-14(10)3/h6-7,9,11H,12H2,1-5H3.
What are the key properties of 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-amine?
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 114661194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).