N-methyl-1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine

C16H23N3 — CID 62797525

IUPACN-methyl-1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine
SMILESCNC(C)c1cnn(-c2c(C)cc(C)cc2C)c1C
InChIInChI=1S/C16H23N3/c1-10-7-11(2)16(12(3)8-10)19-14(5)15(9-18-19)13(4)17-6/h7-9,13,17H,1-6H3
InChIKeySPYUGBYKYREHAW-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.39
Rot. Bonds3

About N-methyl-1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine

N-methyl-1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine (PubChem CID 62797525) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine
PubChem CID62797525
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-methyl-1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine
SMILESCNC(C)c1cnn(-c2c(C)cc(C)cc2C)c1C
InChIInChI=1S/C16H23N3/c1-10-7-11(2)16(12(3)8-10)19-14(5)15(9-18-19)13(4)17-6/h7-9,13,17H,1-6H3
InChIKeySPYUGBYKYREHAW-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 62797527
N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 16770838
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795
5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine
CID 62797360
1-[1-(4-chloro-3-fluorophenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
CID 79149820
1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 43751968
N-[[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methyl]butan-2-amine
CID 82528434
1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
CID 107958317
N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 61271347
1-[1-(1-cyclopropylethyl)-5-methylpyrazol-4-yl]-N-methylethanamine
CID 61271170
2-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]acetonitrile
CID 82528430
(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
CID 96670588

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine?
The IUPAC name of N-methyl-1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine (CID 62797525) is N-methyl-1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine is CNC(C)c1cnn(-c2c(C)cc(C)cc2C)c1C.
What is the InChIKey of N-methyl-1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine?
The InChIKey is SPYUGBYKYREHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-10-7-11(2)16(12(3)8-10)19-14(5)15(9-18-19)13(4)17-6/h7-9,13,17H,1-6H3.
What are the key properties of N-methyl-1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine?
N-methyl-1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 62797525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).