N-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine

C14H19N3 — CID 54982022

IUPACN-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(-c2ccc(C)cc2)c1C
InChIInChI=1S/C14H19N3/c1-4-15-9-13-10-16-17(12(13)3)14-7-5-11(2)6-8-14/h5-8,10,15H,4,9H2,1-3H3
InChIKeyMJQOENDFQFUVIM-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.60
Rot. Bonds4

About N-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine

N-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 54982022) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID54982022
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(-c2ccc(C)cc2)c1C
InChIInChI=1S/C14H19N3/c1-4-15-9-13-10-16-17(12(13)3)14-7-5-11(2)6-8-14/h5-8,10,15H,4,9H2,1-3H3
InChIKeyMJQOENDFQFUVIM-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-1-amine
CID 66439641
N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-1-amine
CID 82527899
N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-1-amine
CID 82527897
N-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]methyl]propan-1-amine
CID 54982311
N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66442458
N-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine
CID 66440506
N-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine
CID 66440844
N-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-1-amine
CID 82528542
[5-amino-1-(4-methylphenyl)pyrazol-4-yl]methanol
CID 115069463
2-[5-bromo-1-(4-methylphenyl)pyrazol-4-yl]-N-methylethanamine
CID 115053251
2-[4-(ethylaminomethyl)-5-methylpyrazol-1-yl]cyclopentan-1-ol
CID 62714625
[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]methanethiol
CID 82528669

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine (CID 54982022) is N-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine is CCNCc1cnn(-c2ccc(C)cc2)c1C.
What is the InChIKey of N-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is MJQOENDFQFUVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-15-9-13-10-16-17(12(13)3)14-7-5-11(2)6-8-14/h5-8,10,15H,4,9H2,1-3H3.
What are the key properties of N-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine?
N-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 54982022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).