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

C8H15N3 — CID 6492580

IUPAC2-(3,4,5-trimethylpyrazol-1-yl)ethanamine
SMILESCc1nn(CCN)c(C)c1C
InChIInChI=1S/C8H15N3/c1-6-7(2)10-11(5-4-9)8(6)3/h4-5,9H2,1-3H3
InChIKeyLZVMGQKKGYOOEM-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.77
Rot. Bonds2

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

2-(3,4,5-trimethylpyrazol-1-yl)ethanamine (PubChem CID 6492580) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(3,4,5-trimethylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4,5-trimethylpyrazol-1-yl)ethanamine
PubChem CID6492580
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-(3,4,5-trimethylpyrazol-1-yl)ethanamine
SMILESCc1nn(CCN)c(C)c1C
InChIInChI=1S/C8H15N3/c1-6-7(2)10-11(5-4-9)8(6)3/h4-5,9H2,1-3H3
InChIKeyLZVMGQKKGYOOEM-UHFFFAOYSA-N
XLogP0.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethylpyrazol-1-yl)ethanamine?
The IUPAC name of 2-(3,4,5-trimethylpyrazol-1-yl)ethanamine (CID 6492580) is 2-(3,4,5-trimethylpyrazol-1-yl)ethanamine.
What is the SMILES notation for 2-(3,4,5-trimethylpyrazol-1-yl)ethanamine?
The canonical SMILES for 2-(3,4,5-trimethylpyrazol-1-yl)ethanamine is Cc1nn(CCN)c(C)c1C.
What is the InChIKey of 2-(3,4,5-trimethylpyrazol-1-yl)ethanamine?
The InChIKey is LZVMGQKKGYOOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6-7(2)10-11(5-4-9)8(6)3/h4-5,9H2,1-3H3.
What are the key properties of 2-(3,4,5-trimethylpyrazol-1-yl)ethanamine?
2-(3,4,5-trimethylpyrazol-1-yl)ethanamine has a molecular weight of 153.23 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 6492580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).