1-[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine

C15H21N3O — CID 43282617

IUPAC1-[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1Oc1c(C)cccc1C
InChIInChI=1S/C15H21N3O/c1-10-7-6-8-11(2)14(10)19-15-13(9-16-4)12(3)17-18(15)5/h6-8,16H,9H2,1-5H3
InChIKeyKLILQTARTJRVIZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.86
Rot. Bonds4

About 1-[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine

1-[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 43282617) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
PubChem CID43282617
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1Oc1c(C)cccc1C
InChIInChI=1S/C15H21N3O/c1-10-7-6-8-11(2)14(10)19-15-13(9-16-4)12(3)17-18(15)5/h6-8,16H,9H2,1-5H3
InChIKeyKLILQTARTJRVIZ-UHFFFAOYSA-N
XLogP2.86
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964058
1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 63036962
N-[[1,3-dimethyl-5-(2-methylphenoxy)pyrazol-4-yl]methyl]ethanamine
CID 43283129
1-[5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 107666719
1-[1,3-dimethyl-5-(3-methyl-4-nitrophenoxy)pyrazol-4-yl]-N-methylmethanamine
CID 61031661
1-[5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 54880706
1-[5-(4-bromo-3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 65201509
1-[1,3-dimethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-yl]-N-methylmethanamine
CID 61398675
1-[5-(5-bromo-2-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 114674233
1-[5-(3-bromo-5-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 81332320
N-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methyl]ethanamine
CID 43283185
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 115884025

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine (CID 43282617) is 1-[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine is CNCc1c(C)nn(C)c1Oc1c(C)cccc1C.
What is the InChIKey of 1-[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is KLILQTARTJRVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-7-6-8-11(2)14(10)19-15-13(9-16-4)12(3)17-18(15)5/h6-8,16H,9H2,1-5H3.
What are the key properties of 1-[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine?
1-[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,6-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 43282617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).