1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine

C16H23N3O — CID 105115555

IUPAC1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCNC(c1ccc(OC)cc1C)c1c(C)nn(C)c1C
InChIInChI=1S/C16H23N3O/c1-10-9-13(20-6)7-8-14(10)16(17-4)15-11(2)18-19(5)12(15)3/h7-9,16-17H,1-6H3
InChIKeyUACYIWADWMPQAG-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.66
Rot. Bonds4

About 1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine

1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 105115555) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID105115555
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCNC(c1ccc(OC)cc1C)c1c(C)nn(C)c1C
InChIInChI=1S/C16H23N3O/c1-10-9-13(20-6)7-8-14(10)16(17-4)15-11(2)18-19(5)12(15)3/h7-9,16-17H,1-6H3
InChIKeyUACYIWADWMPQAG-UHFFFAOYSA-N
XLogP2.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2,4-dimethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105304512
1-(2,6-difluoro-3-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 82797199
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 114878225
[(2-methoxy-3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 103436361
N-methyl-1-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105083946
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114991158
1-(furan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482730
1-(2,5-dichlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482843
1-(3-chloro-4-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 63194536
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 81110285
N-methyl-1-(2-propoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105180782
1-(5-bromo-3-pyridinyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482761

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine (CID 105115555) is 1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine is CNC(c1ccc(OC)cc1C)c1c(C)nn(C)c1C.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is UACYIWADWMPQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10-9-13(20-6)7-8-14(10)16(17-4)15-11(2)18-19(5)12(15)3/h7-9,16-17H,1-6H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine?
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 273.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 105115555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).