1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C15H21N3 — CID 105094800

IUPAC1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1ccccc1C(N)Cc1c(C)nn(C)c1C
InChIInChI=1S/C15H21N3/c1-10-7-5-6-8-13(10)15(16)9-14-11(2)17-18(4)12(14)3/h5-8,15H,9,16H2,1-4H3
InChIKeyRBRXNPCUCBGFBU-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.59
Rot. Bonds3

About 1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 105094800) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID105094800
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1ccccc1C(N)Cc1c(C)nn(C)c1C
InChIInChI=1S/C15H21N3/c1-10-7-5-6-8-13(10)15(16)9-14-11(2)17-18(4)12(14)3/h5-8,15H,9,16H2,1-4H3
InChIKeyRBRXNPCUCBGFBU-UHFFFAOYSA-N
XLogP2.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4,5-trimethylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105155115
1-isoquinolin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105147431
1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105185570
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105095428
1-(2-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 105035202
1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105141485
1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105187974
1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 62730421
2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102804306
1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105095807
1-(3-fluoro-5-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105170047

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 105094800) is 1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1ccccc1C(N)Cc1c(C)nn(C)c1C.
What is the InChIKey of 1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is RBRXNPCUCBGFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-7-5-6-8-13(10)15(16)9-14-11(2)17-18(4)12(14)3/h5-8,15H,9,16H2,1-4H3.
What are the key properties of 1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105094800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).