2-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine

C16H23N3 — CID 105100937

IUPAC2-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1C)c1cnn(C)c1C
InChIInChI=1S/C16H23N3/c1-11-6-7-12(2)14(8-11)9-16(17-4)15-10-18-19(5)13(15)3/h6-8,10,16-17H,9H2,1-5H3
InChIKeyVOCXJICRSCCZQV-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.85
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine

2-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine (PubChem CID 105100937) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
PubChem CID105100937
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
SMILESCNC(Cc1cc(C)ccc1C)c1cnn(C)c1C
InChIInChI=1S/C16H23N3/c1-11-6-7-12(2)14(8-11)9-16(17-4)15-10-18-19(5)13(15)3/h6-8,10,16-17H,9H2,1-5H3
InChIKeyVOCXJICRSCCZQV-UHFFFAOYSA-N
XLogP2.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63508884
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 105118243
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-2-naphthalen-1-ylethanamine
CID 105131039
2-(3,4-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 105136491
[2-(2-chloro-4-methylphenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 106868341
2-(2,5-dimethylphenyl)-N-methyl-1-pyrimidin-4-ylethanamine
CID 63989159
1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dimethylphenyl)ethanol
CID 65362512
1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 62538013
1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63527626
1-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63419886
1-(3,5-dichlorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63526772
2-(2,5-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
CID 65298907

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine (CID 105100937) is 2-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine is CNC(Cc1cc(C)ccc1C)c1cnn(C)c1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine?
The InChIKey is VOCXJICRSCCZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11-6-7-12(2)14(8-11)9-16(17-4)15-10-18-19(5)13(15)3/h6-8,10,16-17H,9H2,1-5H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine?
2-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine has a molecular weight of 257.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 105100937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).