1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine

C13H25N3O — CID 79198502

IUPAC1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
SMILESCCNC(Cc1cc(C)nn1C)C(C)(C)OC
InChIInChI=1S/C13H25N3O/c1-7-14-12(13(3,4)17-6)9-11-8-10(2)15-16(11)5/h8,12,14H,7,9H2,1-6H3
InChIKeyDCAUZAZXSXXDQJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.67
Rot. Bonds6

About 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine

1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine (PubChem CID 79198502) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
PubChem CID79198502
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
SMILESCCNC(Cc1cc(C)nn1C)C(C)(C)OC
InChIInChI=1S/C13H25N3O/c1-7-14-12(13(3,4)17-6)9-11-8-10(2)15-16(11)5/h8,12,14H,7,9H2,1-6H3
InChIKeyDCAUZAZXSXXDQJ-UHFFFAOYSA-N
XLogP1.67
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757879
1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol
CID 79198449
1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
CID 116760786
1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
CID 116761345
3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine
CID 116726711
1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
CID 79055746
1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol
CID 103027581
1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N,3-trimethyl-2-N-propylpentane-2,3-diamine
CID 79064110
2-(2,5-dimethylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-ethylethanamine
CID 107503912
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106792395
1-(2-chlorofuran-3-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 106692336
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 104996043

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine (CID 79198502) is 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine is CCNC(Cc1cc(C)nn1C)C(C)(C)OC.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine?
The InChIKey is DCAUZAZXSXXDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-7-14-12(13(3,4)17-6)9-11-8-10(2)15-16(11)5/h8,12,14H,7,9H2,1-6H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine?
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 79198502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).