3-butan-2-yloxy-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]aniline

C17H25N3O — CID 65197181

IUPAC3-butan-2-yloxy-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]aniline
SMILESCCC(C)Oc1cccc(NC(C)c2cn(C)nc2C)c1
InChIInChI=1S/C17H25N3O/c1-6-12(2)21-16-9-7-8-15(10-16)18-13(3)17-11-20(5)19-14(17)4/h7-13,18H,6H2,1-5H3
InChIKeyLHWQLWIXOYUDGY-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.08
Rot. Bonds6

About 3-butan-2-yloxy-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]aniline

3-butan-2-yloxy-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]aniline (PubChem CID 65197181) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]aniline.

Molecular Properties

Compound Name3-butan-2-yloxy-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]aniline
PubChem CID65197181
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-butan-2-yloxy-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]aniline
SMILESCCC(C)Oc1cccc(NC(C)c2cn(C)nc2C)c1
InChIInChI=1S/C17H25N3O/c1-6-12(2)21-16-9-7-8-15(10-16)18-13(3)17-11-20(5)19-14(17)4/h7-13,18H,6H2,1-5H3
InChIKeyLHWQLWIXOYUDGY-UHFFFAOYSA-N
XLogP4.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]aniline?
The IUPAC name of 3-butan-2-yloxy-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]aniline (CID 65197181) is 3-butan-2-yloxy-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]aniline.
What is the SMILES notation for 3-butan-2-yloxy-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]aniline?
The canonical SMILES for 3-butan-2-yloxy-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]aniline is CCC(C)Oc1cccc(NC(C)c2cn(C)nc2C)c1.
What is the InChIKey of 3-butan-2-yloxy-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]aniline?
The InChIKey is LHWQLWIXOYUDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-6-12(2)21-16-9-7-8-15(10-16)18-13(3)17-11-20(5)19-14(17)4/h7-13,18H,6H2,1-5H3.
What are the key properties of 3-butan-2-yloxy-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]aniline?
3-butan-2-yloxy-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]aniline has a molecular weight of 287.41 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]aniline is sourced from PubChem (CID 65197181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).