1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine

C11H21N3O — CID 105047205

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)c1c(OC)cnn1C
InChIInChI=1S/C11H21N3O/c1-6-11(2,3)10(12)9-8(15-5)7-13-14(9)4/h7,10H,6,12H2,1-5H3
InChIKeyMRQXKUQVXAQWKQ-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.86
Rot. Bonds4

About 1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine

1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine (PubChem CID 105047205) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
PubChem CID105047205
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)c1c(OC)cnn1C
InChIInChI=1S/C11H21N3O/c1-6-11(2,3)10(12)9-8(15-5)7-13-14(9)4/h7,10H,6,12H2,1-5H3
InChIKeyMRQXKUQVXAQWKQ-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
CID 105047085
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine
CID 114651682
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol
CID 103449219
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 114656694
1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105047246
(4-methoxy-1-methylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105046927
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol
CID 103027713
N,N-diethyl-1-hydrazinyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-2-amine
CID 105239351
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-amine
CID 114661490
cyclopropyl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114646874
2-(4-chlorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114646649
ethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate
CID 114636536

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine (CID 105047205) is 1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine is CCC(C)(C)C(N)c1c(OC)cnn1C.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine?
The InChIKey is MRQXKUQVXAQWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-6-11(2,3)10(12)9-8(15-5)7-13-14(9)4/h7,10H,6,12H2,1-5H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine?
1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 105047205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).