2-[5-(3-methylphenyl)pyrazol-1-yl]ethanamine

C12H15N3 — CID 84776411

IUPAC2-[5-(3-methylphenyl)pyrazol-1-yl]ethanamine
SMILESCc1cccc(-c2ccnn2CCN)c1
InChIInChI=1S/C12H15N3/c1-10-3-2-4-11(9-10)12-5-7-14-15(12)8-6-13/h2-5,7,9H,6,8,13H2,1H3
InChIKeyYMJLRVWNIWMHRH-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.82
Rot. Bonds3

About 2-[5-(3-methylphenyl)pyrazol-1-yl]ethanamine

2-[5-(3-methylphenyl)pyrazol-1-yl]ethanamine (PubChem CID 84776411) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[5-(3-methylphenyl)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3-methylphenyl)pyrazol-1-yl]ethanamine
PubChem CID84776411
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-[5-(3-methylphenyl)pyrazol-1-yl]ethanamine
SMILESCc1cccc(-c2ccnn2CCN)c1
InChIInChI=1S/C12H15N3/c1-10-3-2-4-11(9-10)12-5-7-14-15(12)8-6-13/h2-5,7,9H,6,8,13H2,1H3
InChIKeyYMJLRVWNIWMHRH-UHFFFAOYSA-N
XLogP1.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3-methylphenyl)-5-phenyl-1,2,4-triazol-4-yl]ethanamine
CID 91360456
3-(2-ethylpyrazol-3-yl)-5-methylaniline
CID 107579556
5-(3,5-dimethylphenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138557
1-[5-(3-chlorophenyl)pyrazol-1-yl]propan-2-amine
CID 84797894
[1-ethyl-5-(3-methylphenyl)pyrazol-4-yl]methanamine
CID 105469022
[5-(3-methylphenyl)furan-2-yl]methanamine
CID 28804201
[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 112593445
ethane;1-methyl-5-(3-methylphenyl)triazole
CID 176560147
1-ethyl-5-(3-methylphenyl)imidazol-2-amine
CID 45156658
[1-methyl-4-(3-methylphenyl)pyrrol-2-yl]methanamine
CID 117001466
2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol
CID 82210098
2-[5-(3-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
CID 76901426

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methylphenyl)pyrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-(3-methylphenyl)pyrazol-1-yl]ethanamine (CID 84776411) is 2-[5-(3-methylphenyl)pyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-(3-methylphenyl)pyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-(3-methylphenyl)pyrazol-1-yl]ethanamine is Cc1cccc(-c2ccnn2CCN)c1.
What is the InChIKey of 2-[5-(3-methylphenyl)pyrazol-1-yl]ethanamine?
The InChIKey is YMJLRVWNIWMHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10-3-2-4-11(9-10)12-5-7-14-15(12)8-6-13/h2-5,7,9H,6,8,13H2,1H3.
What are the key properties of 2-[5-(3-methylphenyl)pyrazol-1-yl]ethanamine?
2-[5-(3-methylphenyl)pyrazol-1-yl]ethanamine has a molecular weight of 201.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methylphenyl)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 84776411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).