1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-amine

C11H21N3O — CID 103033676

IUPAC1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-amine
SMILESCOC(C)(C)CCn1nc(C)c(N)c1C
InChIInChI=1S/C11H21N3O/c1-8-10(12)9(2)14(13-8)7-6-11(3,4)15-5/h6-7,12H2,1-5H3
InChIKeyQIWGGKFPFWHRBC-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.90
Rot. Bonds4

About 1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-amine

1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-amine (PubChem CID 103033676) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-amine
PubChem CID103033676
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-amine
SMILESCOC(C)(C)CCn1nc(C)c(N)c1C
InChIInChI=1S/C11H21N3O/c1-8-10(12)9(2)14(13-8)7-6-11(3,4)15-5/h6-7,12H2,1-5H3
InChIKeyQIWGGKFPFWHRBC-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-amine (CID 103033676) is 1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-amine is COC(C)(C)CCn1nc(C)c(N)c1C.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-amine?
The InChIKey is QIWGGKFPFWHRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8-10(12)9(2)14(13-8)7-6-11(3,4)15-5/h6-7,12H2,1-5H3.
What are the key properties of 1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-amine?
1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-amine has a molecular weight of 211.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 103033676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).