2-pyrazol-1-yl-1-(2,4,6-trimethylphenyl)ethanamine

C14H19N3 — CID 16793617

IUPAC2-pyrazol-1-yl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)Cn2cccn2)c(C)c1
InChIInChI=1S/C14H19N3/c1-10-7-11(2)14(12(3)8-10)13(15)9-17-6-4-5-16-17/h4-8,13H,9,15H2,1-3H3
InChIKeyXNPLNRQLQVDCCG-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.51
Rot. Bonds3

About 2-pyrazol-1-yl-1-(2,4,6-trimethylphenyl)ethanamine

2-pyrazol-1-yl-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 16793617) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-pyrazol-1-yl-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-pyrazol-1-yl-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID16793617
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-pyrazol-1-yl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)Cn2cccn2)c(C)c1
InChIInChI=1S/C14H19N3/c1-10-7-11(2)14(12(3)8-10)13(15)9-17-6-4-5-16-17/h4-8,13H,9,15H2,1-3H3
InChIKeyXNPLNRQLQVDCCG-UHFFFAOYSA-N
XLogP2.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-2-pyrazol-1-ylethanamine
CID 16643554
1-(2,6-difluorophenyl)-2-pyrazol-1-ylethanamine
CID 16781787
1-pyrazol-1-yl-N-[(2,4,6-trimethylphenyl)methyl]propan-2-amine
CID 43749249
2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 60539912
2-(1-amino-2-pyrazol-1-ylethyl)phenol
CID 16641636
(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517545
N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808820
1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 103532480
2-(2-ethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43562607
2-(4-ethylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 115803358
N'-butan-2-yl-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 43272878

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-pyrazol-1-yl-1-(2,4,6-trimethylphenyl)ethanamine (CID 16793617) is 2-pyrazol-1-yl-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-pyrazol-1-yl-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-pyrazol-1-yl-1-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(C(N)Cn2cccn2)c(C)c1.
What is the InChIKey of 2-pyrazol-1-yl-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is XNPLNRQLQVDCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-7-11(2)14(12(3)8-10)13(15)9-17-6-4-5-16-17/h4-8,13H,9,15H2,1-3H3.
What are the key properties of 2-pyrazol-1-yl-1-(2,4,6-trimethylphenyl)ethanamine?
2-pyrazol-1-yl-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 16793617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).