2-[5-methyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-4-yl]ethanamine

C15H21N3 — CID 82478249

IUPAC2-[5-methyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-4-yl]ethanamine
SMILESCc1cc(C)c(-c2n[nH]c(C)c2CCN)cc1C
InChIInChI=1S/C15H21N3/c1-9-7-11(3)14(8-10(9)2)15-13(5-6-16)12(4)17-18-15/h7-8H,5-6,16H2,1-4H3,(H,17,18)
InChIKeyZRGQMWTWUIUZPM-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.81
Rot. Bonds3

About 2-[5-methyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-4-yl]ethanamine

2-[5-methyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-4-yl]ethanamine (PubChem CID 82478249) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[5-methyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-4-yl]ethanamine
PubChem CID82478249
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[5-methyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-4-yl]ethanamine
SMILESCc1cc(C)c(-c2n[nH]c(C)c2CCN)cc1C
InChIInChI=1S/C15H21N3/c1-9-7-11(3)14(8-10(9)2)15-13(5-6-16)12(4)17-18-15/h7-8H,5-6,16H2,1-4H3,(H,17,18)
InChIKeyZRGQMWTWUIUZPM-UHFFFAOYSA-N
XLogP2.81
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(5-chloro-2-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 82486849
2-[3-(4-bromophenyl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 82489297
2-[3-(1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 82478929
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-4-yl]ethanamine
CID 82483994
[3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 82474858
2-[3-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 82479088
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
CID 55282490
2-[4-bromo-3-(5-tert-butyl-2-methylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 84610792
2-(2-aminoethyl)-6-chloro-3,5-dimethylphenol
CID 84669167
2-[4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
CID 93189901
2-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 55253918
[5-methyl-3-[2-(2-phenylethoxy)phenyl]-1H-pyrazol-4-yl]methanamine
CID 54850620

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[5-methyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-4-yl]ethanamine (CID 82478249) is 2-[5-methyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-methyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-methyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-4-yl]ethanamine is Cc1cc(C)c(-c2n[nH]c(C)c2CCN)cc1C.
What is the InChIKey of 2-[5-methyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-4-yl]ethanamine?
The InChIKey is ZRGQMWTWUIUZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-9-7-11(3)14(8-10(9)2)15-13(5-6-16)12(4)17-18-15/h7-8H,5-6,16H2,1-4H3,(H,17,18).
What are the key properties of 2-[5-methyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-4-yl]ethanamine?
2-[5-methyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-4-yl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-4-yl]ethanamine is sourced from PubChem (CID 82478249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).