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

C17H25N3 — CID 105155115

IUPAC1-(2,4,5-trimethylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1cc(C)c(C(N)Cc2c(C)nn(C)c2C)cc1C
InChIInChI=1S/C17H25N3/c1-10-7-12(3)15(8-11(10)2)17(18)9-16-13(4)19-20(6)14(16)5/h7-8,17H,9,18H2,1-6H3
InChIKeyPMPATBLVGUBBOO-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.20
Rot. Bonds3

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

1-(2,4,5-trimethylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 105155115) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(2,4,5-trimethylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4,5-trimethylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID105155115
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(2,4,5-trimethylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1cc(C)c(C(N)Cc2c(C)nn(C)c2C)cc1C
InChIInChI=1S/C17H25N3/c1-10-7-12(3)15(8-11(10)2)17(18)9-16-13(4)19-20(6)14(16)5/h7-8,17H,9,18H2,1-6H3
InChIKeyPMPATBLVGUBBOO-UHFFFAOYSA-N
XLogP3.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105094800
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
(2,4,5-trimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105155071
1-(3-fluoro-5-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105170047
1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105185570
1-isoquinolin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105147431
1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 62730421
1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105095428
1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105141485
1-(2-methoxy-5-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105118289
1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105187974
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105186869

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trimethylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(2,4,5-trimethylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 105155115) is 1-(2,4,5-trimethylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2,4,5-trimethylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(2,4,5-trimethylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1cc(C)c(C(N)Cc2c(C)nn(C)c2C)cc1C.
What is the InChIKey of 1-(2,4,5-trimethylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is PMPATBLVGUBBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-10-7-12(3)15(8-11(10)2)17(18)9-16-13(4)19-20(6)14(16)5/h7-8,17H,9,18H2,1-6H3.
What are the key properties of 1-(2,4,5-trimethylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
1-(2,4,5-trimethylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trimethylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105155115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).