2-[5-propan-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine

C17H25N3 — CID 95474666

IUPAC2-[5-propan-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine
SMILESCc1cc(C)c(-n2ncc(CCN)c2C(C)C)c(C)c1
InChIInChI=1S/C17H25N3/c1-11(2)16-15(6-7-18)10-19-20(16)17-13(4)8-12(3)9-14(17)5/h8-11H,6-7,18H2,1-5H3
InChIKeyFOJYJPBYKIBBQA-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.42
Rot. Bonds4

About 2-[5-propan-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine

2-[5-propan-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine (PubChem CID 95474666) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-[5-propan-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-propan-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine
PubChem CID95474666
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-[5-propan-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine
SMILESCc1cc(C)c(-n2ncc(CCN)c2C(C)C)c(C)c1
InChIInChI=1S/C17H25N3/c1-11(2)16-15(6-7-18)10-19-20(16)17-13(4)8-12(3)9-14(17)5/h8-11H,6-7,18H2,1-5H3
InChIKeyFOJYJPBYKIBBQA-UHFFFAOYSA-N
XLogP3.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,5-dimethylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine
CID 82300177
2-[1-(3-chloro-2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine
CID 95481921
5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-amine
CID 62797360
N-[[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methyl]butan-2-amine
CID 82528434
2-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]acetonitrile
CID 82528430
N-methyl-1-[5-propyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methanamine
CID 66442382
[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66440251
[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66441076
2-[1-(4-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82297303
N-methyl-1-[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine
CID 62797525
[5-propan-2-yl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol
CID 79200265
[1-(2-ethylphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 82293937

Frequently Asked Questions

What is the IUPAC name of 2-[5-propan-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[5-propan-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine (CID 95474666) is 2-[5-propan-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-propan-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-propan-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine is Cc1cc(C)c(-n2ncc(CCN)c2C(C)C)c(C)c1.
What is the InChIKey of 2-[5-propan-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine?
The InChIKey is FOJYJPBYKIBBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-11(2)16-15(6-7-18)10-19-20(16)17-13(4)8-12(3)9-14(17)5/h8-11H,6-7,18H2,1-5H3.
What are the key properties of 2-[5-propan-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine?
2-[5-propan-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-propan-2-yl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 95474666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).